data_6048 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NEW STRUCTURAL FAMILY OF AN ANTIMICROBIAL PEPTIDE DERIVED FROM BOVINE HEMOGLOBIN ; _BMRB_accession_number 6048 _BMRB_flat_file_name bmr6048.str _Entry_type original _Submission_date 2003-12-15 _Accession_date 2003-12-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sforca Mauricio L. . 2 Figueredo Rita C.R. . 3 Machado Alessandra . . 4 Oyama Sergio . . 5 Miranda Maria T.M. . 6 Miranda Antonio . . 7 Daffre Sirlei . . 8 Spisni Alberto . . 9 Pertinhez Thelma A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 156 "coupling constants" 22 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'Updating non-standard residue' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Micelle-Bound Structure of an Antimicrobial Peptide Derived from the alpha-Chain of Bovine Hemoglobin Isolated from the Tick Boophilus microplus. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15850378 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sforca Mauricio L. . 2 Machado Alessandra . . 3 Figueredo Rita C.R. . 4 Oyama Sergio . . 5 Silva F. D. . 6 Miranda Antonio . . 7 Daffre Sirlei . . 8 Miranda Maria T.M. . 9 Spisni Alberto . . 10 Pertinhez Thelma A. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6440 _Page_last 6451 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_Hb3361a _Saveframe_category molecular_system _Mol_system_name 'Hb3361a peptide' _Abbreviation_common Hb3361a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hb3361a monomer' $Hb3361a stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hb3361a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Hemoglobin fragment' _Abbreviation_common Hb3361a _Molecular_mass 3205 _Mol_thiol_state 'not present' _Details 'carboxyamidated antimicrobial peptide' ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; FLSFPTTKTYFPHFDLSHGS AQVKGHGAKX ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 LEU 3 SER 4 PHE 5 PRO 6 THR 7 THR 8 LYS 9 THR 10 TYR 11 PHE 12 PRO 13 HIS 14 PHE 15 ASP 16 LEU 17 SER 18 HIS 19 GLY 20 SER 21 ALA 22 GLN 23 VAL 24 LYS 25 GLY 26 HIS 27 GLY 28 ALA 29 LYS 30 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 1101 "hemoglobin A alpha chain" 93.10 141 100.00 100.00 6.78e-10 BMRB 16891 HBA1 93.10 141 100.00 100.00 6.78e-10 BMRB 16898 HBA1 93.10 141 100.00 100.00 6.78e-10 BMRB 25 "hemoglobin A alpha chain" 93.10 141 100.00 100.00 6.78e-10 BMRB 2707 "hemoglobin A alpha chain" 93.10 141 100.00 100.00 6.78e-10 BMRB 2709 "hemoglobin A alpha chain" 93.10 141 100.00 100.00 6.78e-10 BMRB 2868 "hemoglobin A alpha chain" 93.10 141 100.00 100.00 6.78e-10 BMRB 3442 "hemoglobin A alpha chain" 93.10 141 100.00 100.00 6.78e-10 BMRB 5809 Hb_A 93.10 141 100.00 100.00 6.78e-10 BMRB 6360 Hb40-61a 72.41 22 100.00 100.00 2.83e-05 BMRB 6413 40-61_fragment 72.41 22 100.00 100.00 2.71e-05 BMRB 6414 33-52_amidated_fragment 65.52 20 100.00 100.00 1.47e-03 BMRB 907 "hemoglobin A alpha chain" 93.10 141 100.00 100.00 6.78e-10 PDB 1A00 "Hemoglobin (Val Beta1 Met, Trp Beta37 Tyr) Mutant" 93.10 141 100.00 100.00 6.78e-10 PDB 1A01 "Hemoglobin (Val Beta1 Met, Trp Beta37 Ala) Mutant" 93.10 141 100.00 100.00 6.78e-10 PDB 1A0U "Hemoglobin (Val Beta1 Met) Mutant" 93.10 141 100.00 100.00 6.78e-10 PDB 1A0Z "Hemoglobin (Val Beta1 Met) Mutant" 93.10 141 100.00 100.00 6.78e-10 PDB 1A3N "Deoxy Human Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1A9W "Human Embryonic Gower Ii Carbonmonoxy Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1ABW "Deoxy Rhb1.1 (Recombinant Hemoglobin)" 93.10 283 100.00 100.00 2.38e-09 PDB 1ABY "Cyanomet Rhb1.1 (Recombinant Hemoglobin)" 93.10 283 100.00 100.00 2.38e-09 PDB 1B86 "Human Deoxyhaemoglobin-2,3-Diphosphoglycerate Complex" 93.10 141 100.00 100.00 6.78e-10 PDB 1BAB "Hemoglobin Thionville: An Alpha-Chain Variant With A Substitution Of A Glutamate For Valine At Na-1 And Having An Acetylated Me" 93.10 143 100.00 100.00 6.83e-10 PDB 1BBB "A Third Quaternary Structure Of Human Hemoglobin A At 1.7-angstroms Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1BIJ "Crosslinked, Deoxy Human Hemoglobin A" 93.10 141 100.00 100.00 6.78e-10 PDB 1BUW "Crystal Structure Of S-Nitroso-Nitrosyl Human Hemoglobin A" 93.10 141 100.00 100.00 6.78e-10 PDB 1BZ0 "Hemoglobin A (Human, Deoxy, High Salt)" 93.10 141 100.00 100.00 6.78e-10 PDB 1BZ1 "Hemoglobin (Alpha + Met) Variant" 93.10 142 100.00 100.00 6.57e-10 PDB 1BZZ "Hemoglobin (Alpha V1m) Mutant" 93.10 141 100.00 100.00 6.72e-10 PDB 1C7B "Deoxy Rhb1.0 (Recombinant Hemoglobin)" 93.10 141 100.00 100.00 6.72e-10 PDB 1C7C "Deoxy Rhb1.1 (Recombinant Hemoglobin)" 93.10 283 100.00 100.00 2.38e-09 PDB 1C7D "Deoxy Rhb1.2 (Recombinant Hemoglobin)" 93.10 284 100.00 100.00 2.51e-09 PDB 1CLS "Cross-Linked Human Hemoglobin Deoxy" 93.10 141 100.00 100.00 6.78e-10 PDB 1CMY "The Mutation Beta99 Asp-Tyr Stabilizes Y-A New, Composite Quaternary State Of Human Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1COH "Structure Of Haemoglobin In The Deoxy Quaternary State With Ligand Bound At The Alpha Haems" 93.10 141 100.00 100.00 6.78e-10 PDB 1DKE "Ni Beta Heme Human Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1DXT "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" 93.10 141 100.00 100.00 6.78e-10 PDB 1DXU "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" 93.10 141 100.00 100.00 6.78e-10 PDB 1DXV "High-resolution X-ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-globins Having Mutated Amino Termini" 93.10 141 100.00 100.00 6.78e-10 PDB 1FDH "Structure Of Human Foetal Deoxyhaemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1FN3 "Crystal Structure Of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1FSX "The X-Ray Structure Determination Of Bovine Carbonmonoxy Hb At 2.1 A Resolution And Its Relationship To The Quaternary Structur" 96.55 141 100.00 100.00 1.99e-10 PDB 1G08 "Carbonmonoxy Liganded Bovine Hemoglobin Ph 5.0" 96.55 141 100.00 100.00 1.99e-10 PDB 1G09 "Carbonmonoxy Liganded Bovine Hemoglobin Ph 7.2" 96.55 141 100.00 100.00 1.99e-10 PDB 1G0A "Carbonmonoxy Liganded Bovine Hemoglobin Ph 8.5" 96.55 141 100.00 100.00 1.99e-10 PDB 1G9V "High Resolution Crystal Structure Of Deoxy Hemoglobin Complexed With A Potent Allosteric Effector" 93.10 141 100.00 100.00 6.78e-10 PDB 1GBU "Deoxy (Beta-(C93a,C112g)) Human Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1GBV "(Alpha-Oxy, Beta-(C112g)deoxy) T-State Human Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1GZX "Oxy T State Haemoglobin: Oxygen Bound At All Four Haems" 93.10 141 100.00 100.00 6.78e-10 PDB 1HAB "Crosslinked Haemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1HAC "Crosslinked Haemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1HBA "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" 93.10 141 100.00 100.00 6.78e-10 PDB 1HBB "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" 93.10 141 100.00 100.00 6.78e-10 PDB 1HBS "Refined Crystal Structure Of Deoxyhemoglobin S. I. Restrained Least-Squares Refinement At 3.0-Angstroms Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1HCO "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1HDA "A Novel Allosteric Mechanism In Haemoglobin. Structure Of Bovine Deoxyhaemoglobin, Absence Of Specific Chloride- Binding Sites " 96.55 141 100.00 100.00 1.99e-10 PDB 1HDB "Analysis Of The Crystal Structure, Molecular Modeling And Infrared Spectroscopy Of The Distal Beta-Heme Pocket Valine67(E11)-Th" 93.10 141 100.00 100.00 6.78e-10 PDB 1HGA "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" 93.10 141 100.00 100.00 6.78e-10 PDB 1HGB "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-State Haemoglobins: T(Alpha-O" 93.10 141 100.00 100.00 6.78e-10 PDB 1HGC "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" 93.10 141 100.00 100.00 6.78e-10 PDB 1HHO "Structure Of Human Oxyhaemoglobin At 2.1 Angstroms Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1IRD "Crystal Structure Of Human Carbonmonoxy-Haemoglobin At 1.25 A Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1J3Y "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Hemoglobin; Crystal Structure Of Alpha(Fe)-Beta(N" 93.10 141 100.00 100.00 6.78e-10 PDB 1J3Z "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Fe-Co)-Be" 93.10 141 100.00 100.00 6.78e-10 PDB 1J40 "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" 93.10 141 100.00 100.00 6.78e-10 PDB 1J41 "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" 93.10 141 100.00 100.00 6.78e-10 PDB 1J7W "Crystal Structure Of Deoxy Hbbetayq, A Site Directed Mutant Of Hba" 93.10 141 100.00 100.00 6.72e-10 PDB 1JY7 "The Structure Of Human Methemoglobin. The Variation Of A Theme" 93.10 141 100.00 100.00 6.78e-10 PDB 1K0Y "X-ray Crystallographic Analyses Of Symmetrical Allosteric Effectors Of Hemoglobin. Compounds Designed To Link Primary And Secon" 93.10 141 100.00 100.00 6.78e-10 PDB 1K1K "Structure Of Mutant Human Carbonmonoxyhemoglobin C (beta E6k) At 2.0 Angstrom Resolution In Phosphate Buffer." 93.10 141 100.00 100.00 6.78e-10 PDB 1KD2 "Crystal Structure Of Human Deoxyhemoglobin In Absence Of Any Anions" 93.10 141 100.00 100.00 6.78e-10 PDB 1LFL "Deoxy Hemoglobin (90% Relative Humidity)" 93.10 141 100.00 100.00 6.78e-10 PDB 1LFQ "Oxy Hemoglobin (93% Relative Humidity)" 93.10 141 100.00 100.00 6.78e-10 PDB 1LFT "Oxy Hemoglobin (90% Relative Humidity)" 93.10 141 100.00 100.00 6.78e-10 PDB 1LFV "Oxy Hemoglobin (88% Relative Humidity)" 93.10 141 100.00 100.00 6.78e-10 PDB 1LFY "Oxy Hemoglobin (84% Relative Humidity)" 93.10 141 100.00 100.00 6.78e-10 PDB 1LFZ "Oxy Hemoglobin (25% Methanol)" 93.10 141 100.00 100.00 6.78e-10 PDB 1LJW "Crystal Structure Of Human Carbonmonoxy Hemoglobin At 2.16 A: A Snapshot Of The Allosteric Transition" 93.10 141 100.00 100.00 6.78e-10 PDB 1M9P "Crystalline Human Carbonmonoxy Hemoglobin C Exhibits The R2 Quaternary State At Neutral Ph In The Presence Of Polyethylene Glyc" 93.10 141 100.00 100.00 6.78e-10 PDB 1MKO "A Fourth Quaternary Structure Of Human Hemoglobin A At 2.18 A Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1NEJ "Crystalline Human Carbonmonoxy Hemoglobin S (liganded Sickle Cell Hemoglobin) Exhibits The R2 Quaternary State At Neutral Ph In" 93.10 141 100.00 100.00 6.78e-10 PDB 1NIH "Structure Of Deoxy-Quaternary Haemoglobin With Liganded Beta Subunits" 93.10 141 100.00 100.00 6.78e-10 PDB 1NQP "Crystal Structure Of Human Hemoglobin E At 1.73 A Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1O1K "Deoxy Hemoglobin (A,C:v1m; B,D:v1m,V67w)" 93.10 141 100.00 100.00 6.72e-10 PDB 1O1N "Deoxy Hemoglobin (A-Glyglygly-C:v1m,L29w; B,D:v1m)" 93.10 285 100.00 100.00 2.81e-09 PDB 1O1O "Deoxy Hemoglobin (A,C:v1m,V62l; B,D:v1m,V67l)" 93.10 141 100.00 100.00 6.92e-10 PDB 1O1P "Deoxy Hemoglobin (A-Gly-C:v1m; B,D:v1m,C93a,N108k)" 93.10 283 100.00 100.00 2.38e-09 PDB 1QSH "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" 93.10 141 100.00 100.00 6.78e-10 PDB 1QSI "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" 93.10 141 100.00 100.00 6.78e-10 PDB 1QXD "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" 93.10 141 100.00 100.00 6.78e-10 PDB 1QXE "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" 93.10 141 100.00 100.00 6.78e-10 PDB 1R1X "Crystal Structure Of Oxy-Human Hemoglobin Bassett At 2.15 Angstrom" 93.10 141 100.00 100.00 6.45e-10 PDB 1R1Y "Crystal Structure Of Deoxy-Human Hemoglobin Bassett At 1.8 Angstrom" 93.10 141 100.00 100.00 6.45e-10 PDB 1RPS "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Hemoglobin Exposed To No Under" 93.10 141 100.00 100.00 6.78e-10 PDB 1RQ3 "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Deoxyhemoglobin, Deoxyhemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1RQ4 "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin, Hemoglobin Exposed To No Under" 93.10 141 100.00 100.00 6.78e-10 PDB 1RQA "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Beta W73e Hemoglobin Exposed T" 93.10 141 100.00 100.00 6.78e-10 PDB 1RVW "R State Human Hemoglobin [alpha V96w], Carbonmonoxy" 93.10 141 100.00 100.00 7.14e-10 PDB 1SDK "Cross-linked, Carbonmonoxy Hemoglobin A" 93.10 141 100.00 100.00 6.78e-10 PDB 1SDL "Cross-Linked, Carbonmonoxy Hemoglobin A" 93.10 141 100.00 100.00 6.78e-10 PDB 1SHR "Crystal Structure Of Ferrocyanide Bound Human Hemoglobin A2 At 1.88a Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1SI4 "Crystal Structure Of Human Hemoglobin A2 (In R2 State) At 2.2 A Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1THB "Refinement Of A Partially Oxygenated T State Haemoglobin At 1.5 Angstroms Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 1UIW "Crystal Structures Of Unliganded And Half-Liganded Human Hemoglobin Derivatives Cross-Linked Between Lys 82beta1 And Lys 82beta" 93.10 141 100.00 100.00 6.78e-10 PDB 1VWT "T State Human Hemoglobin [alpha V96w], Alpha Aquomet, Beta Deoxy" 93.10 141 100.00 100.00 7.14e-10 PDB 1XXT "The T-To-T High Transitions In Human Hemoglobin: Wild-Type Deoxy Hb A (Low Salt, One Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1XZ2 "Wild-Type Hemoglobin Deoxy No-Salt" 93.10 141 100.00 100.00 6.78e-10 PDB 1XZ5 "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphal91a Deoxy Low-Salt" 93.10 141 100.00 100.00 6.52e-10 PDB 1XZ7 "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphar92a Deoxy Low-Salt" 93.10 141 100.00 100.00 6.45e-10 PDB 1XZU "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphad94g Deoxy Low-Salt" 93.10 141 100.00 100.00 7.28e-10 PDB 1XZV "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphap95a Deoxy Low-Salt" 93.10 141 100.00 100.00 5.95e-10 PDB 1Y01 "Crystal Structure Of Ahsp Bound To Fe(Ii) Alpha-Hemoglobin" 93.10 142 100.00 100.00 6.57e-10 PDB 1Y09 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphan97a Deoxy Low-Salt" 93.10 141 100.00 100.00 6.52e-10 PDB 1Y0A "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140a Deoxy Low-Salt" 93.10 141 100.00 100.00 6.32e-10 PDB 1Y0C "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140f Deoxy Low-Salt" 93.10 141 100.00 100.00 7.06e-10 PDB 1Y0D "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Desarg141alpha Deoxy Low-Salt" 93.10 140 100.00 100.00 7.08e-10 PDB 1Y0T "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y0W "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y22 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y2Z "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav34g Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y31 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y35 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y45 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Deoxy Low-Salt (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y46 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Deoxy Low-Salt (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y4B "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Deoxy Low-Salt (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y4F "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Deoxy Low-Salt (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y4G "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Deoxy Low-Salt (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y4P "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Deoxy Low-Salt (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y4Q "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf42a Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y4R "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf45a Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y4V "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betac93a Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y5F "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betal96a Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y5J "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betah97a Deoxy Low-salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y5K "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betad99a Deoxy Low-salt (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y7C "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y7D "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betap100g Deoxy Low-salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y7G "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan102a Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y7Z "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan108a Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y83 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay145g Deoxy Low-Salt (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y85 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Deshis146beta Deoxy Low-Salt" 93.10 141 100.00 100.00 6.78e-10 PDB 1Y8W "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphar92a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 93.10 141 100.00 100.00 6.45e-10 PDB 1YDZ "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphay140f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 93.10 141 100.00 100.00 7.06e-10 PDB 1YE0 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YE1 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YE2 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YEN "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YEO "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YEQ "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Oxy (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YEU "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Oxy (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YEV "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Oxy (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YFF "Structure Of Human Carbonmonoxyhemoglobin C (beta E6k): Two Quaternary States (r2 And R3) In One Crystal" 93.10 141 100.00 100.00 6.78e-10 PDB 1YG5 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YGD "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betaw37e Alpha Zinc Beta Oxy (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YGF "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betah97a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YH9 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YHE "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (5.0mm Ihp, 20% Peg) (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YHR "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (10.0mm Ihp, 20% Peg) (10 Test Sets)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YIE "T-to-thigh Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (2.2mm Ihp, 13% Peg) (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YIH "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Oxy (2.2mm Ihp, 20% Peg) (1 Test Set)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YVQ "The Low Salt (Peg) Crystal Structure Of Co Hemoglobin E (Betae26k) Approaching Physiological Ph (Ph 7.5)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YVT "The High Salt (Phosphate) Crystal Structure Of Co Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" 93.10 141 100.00 100.00 6.78e-10 PDB 1YZI "A Novel Quaternary Structure Of Human Carbonmonoxy Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 1Z8U "Crystal Structure Of Oxidized Alpha Hemoglobin Bound To Ahsp" 93.10 142 100.00 100.00 6.57e-10 PDB 2D5Z "Crystal Structure Of T-State Human Hemoglobin Complexed With Three L35 Molecules" 93.10 141 100.00 100.00 6.78e-10 PDB 2D60 "Crystal Structure Of Deoxy Human Hemoglobin Complexed With Two L35 Molecules" 93.10 141 100.00 100.00 6.78e-10 PDB 2DN1 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Oxy Form" 93.10 141 100.00 100.00 6.78e-10 PDB 2DN2 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Deoxy Form" 93.10 141 100.00 100.00 6.78e-10 PDB 2DN3 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Carbonmonoxy Form" 93.10 141 100.00 100.00 6.78e-10 PDB 2DXM "Neutron Structure Analysis Of Deoxy Human Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 2H35 "Solution Structure Of Human Normal Adult Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 2HBC "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 93.10 141 100.00 100.00 6.78e-10 PDB 2HBD "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 93.10 141 100.00 100.00 6.78e-10 PDB 2HBE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 93.10 141 100.00 100.00 6.78e-10 PDB 2HBF "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 93.10 141 100.00 100.00 6.78e-10 PDB 2HBS "The High Resolution Crystal Structure Of Deoxyhemoglobin S" 93.10 141 100.00 100.00 6.78e-10 PDB 2HCO "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 2HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 2HHD "Oxygen Affinity Modulation By The N-Termini Of The Beta- Chains In Human And Bovine Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 2HHE "Oxygen Affinity Modulation By The N-Termini Of The Beta Chains In Human And Bovine Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 2M6Z "Refined Solution Structure Of Human Adult Hemoglobin In The Carbonmonoxy Form" 93.10 141 100.00 100.00 6.78e-10 PDB 2QSP "Bovine Hemoglobin At Ph 5.7" 96.55 141 100.00 100.00 1.99e-10 PDB 2QSS "Bovine Hemoglobin At Ph 6.3" 96.55 141 100.00 100.00 1.99e-10 PDB 2QU0 "Crystal Structure Determination Of Sheep Methemoglobin At 2.7 Angstrom Resolution" 93.10 141 100.00 100.00 8.22e-10 PDB 2RI4 "Crystal Structure Determination Of Goat Methemoglobin At 2.7 Angstrom" 93.10 141 100.00 100.00 8.22e-10 PDB 2W6V "Structure Of Human Deoxy Hemoglobin A In Complex With Xenon" 93.10 141 100.00 100.00 6.78e-10 PDB 2YRS "Human Hemoglobin D Los Angeles: Crystal Structure" 93.10 141 100.00 100.00 6.78e-10 PDB 3B75 "Crystal Structure Of Glycated Human Haemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 3CIU "Site-Selective Glycosylation Of Cysteine-93 Beta On The Surface Of Bovine Hemoglobin And Its Application As A Novel Oxygen Ther" 96.55 141 100.00 100.00 1.99e-10 PDB 3CY5 "Crystal Structure Determination Of Buffalo (Bubalus Bubalis) Hemoglobin At 2 Angstrom Resolution" 96.55 141 100.00 100.00 2.34e-10 PDB 3D17 "A Triply Ligated Crystal Structure Of Relaxed State Human Hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 3D1A "Crystal Structure Determination Of Goat Hemoglobin At 2.61 Angstrom Resolution" 93.10 142 100.00 100.00 7.96e-10 PDB 3D7O "Human Hemoglobin, Nitrogen Dioxide Anion Modified" 93.10 141 100.00 100.00 6.78e-10 PDB 3DUT "The High Salt (Phosphate) Crystal Structure Of Deoxy Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" 93.10 141 100.00 100.00 6.78e-10 PDB 3EU1 "Crystal Structure Determination Of Goat Hemoglobin (Capra Hircus) At 3 Angstrom Resolution" 93.10 141 100.00 100.00 8.22e-10 PDB 3HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 3HXN "The Structure Of Human Carbonmonoxyhemoglobin Complex To Ihp At 2.0 Angstrons Resolution." 93.10 141 100.00 100.00 6.78e-10 PDB 3IA3 "A Cis-Proline In Alpha-Hemoglobin Stabilizing Protein Directs The Structural Reorganization Of Alpha-Hemoglobin" 93.10 145 100.00 100.00 7.99e-10 PDB 3IC0 "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-298" 93.10 141 100.00 100.00 6.78e-10 PDB 3IC2 "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-266" 93.10 141 100.00 100.00 6.78e-10 PDB 3KMF "Room Temperature Time-Of-Flight Neutron Diffraction Study Of Deoxy Human Normal Adult Hemoglobin" 93.10 141 100.00 100.00 7.21e-10 PDB 3NL7 "Human Hemoglobin A Mutant Beta H63w Carbonmonoxy-Form" 93.10 141 100.00 100.00 6.78e-10 PDB 3ODQ "Structure Of A Crystal Form Of Human Methemoglobin Indicative Of Fiber Formation" 93.10 141 100.00 100.00 6.78e-10 PDB 3ONZ "Human Tetrameric Hemoglobin: Proximal Nitrite Ligand At Beta" 93.10 141 100.00 100.00 6.78e-10 PDB 3OO4 "R-State Human Hemoglobin: Nitriheme Modified At Alpha" 93.10 141 100.00 100.00 6.78e-10 PDB 3OO5 "R-State Human Hemoglobin: Nitriheme Modified" 93.10 141 100.00 100.00 6.78e-10 PDB 3OVU "Crystal Structure Of Human Alpha-Haemoglobin Complexed With Ahsp And The First Neat Domain Of Isdh From Staphylococcus Aureus" 93.10 141 100.00 100.00 6.78e-10 PDB 3P5Q "Ferric R-State Human Aquomethemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 3PI8 "Site-Specific Glycosylation Of Hemoglobin Utilizing Oxime Ligation Chemistry As A Viable Alternative To Pegylation" 96.55 141 100.00 100.00 1.99e-10 PDB 3PI9 "Site-Specific Glycosylation Of Hemoglobin Utilizing Oxime Ligation Chemistry As A Viable Alternative To Pegylation" 96.55 141 100.00 100.00 1.99e-10 PDB 3PIA "Site-Specific Glycosylation Of Hemoglobin Utilizing Oxime Ligation Chemistry As A Viable Alternative To Pegylation" 96.55 141 100.00 100.00 1.99e-10 PDB 3QJC "Human Hemoglobin A Mutant Beta H63l Carbonmonoxy-Form" 93.10 141 100.00 100.00 6.78e-10 PDB 3QJE "Human Hemoglobin A Mutant Beta H63l Deoxy-Form" 93.10 141 100.00 100.00 6.78e-10 PDB 3R5I "Crystal Structure Of Liganded Hemoglobin Complexed With A Potent Antisickling Agent, Inn-312" 93.10 141 100.00 100.00 6.78e-10 PDB 3S48 "Human Alpha-haemoglobin Complexed With The First Neat Domain Of Isdh From Staphylococcus Aureus" 93.10 141 100.00 100.00 6.78e-10 PDB 3S65 "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R2 Quaternary Structures" 93.10 141 100.00 100.00 6.78e-10 PDB 3S66 "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R Quaternary Structures" 93.10 141 100.00 100.00 6.78e-10 PDB 3SZK "Crystal Structure Of Human Methaemoglobin Complexed With The First Neat Domain Of Isdh From Staphylococcus Aureus" 93.10 141 100.00 100.00 6.78e-10 PDB 3WCP "Deoxyhemoglobin Sh-drug Complex" 93.10 141 100.00 100.00 6.78e-10 PDB 3WHM "Structure Of Hemoglobin Complex With 18-crown-6" 93.10 141 100.00 100.00 6.78e-10 PDB 4FC3 "Crystal Structure Of Human Methaemoglobin Complexed With The Second Neat Domain Of Isdh From Staphylococcus Aureus" 93.10 141 100.00 100.00 6.78e-10 PDB 4HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 93.10 141 100.00 100.00 6.78e-10 PDB 4IJ2 "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh From Staphylococcus Aureus" 93.10 141 100.00 100.00 6.78e-10 PDB 4L7Y "Deoxygenated Hb In Complex With The Allosteric Effectors, Irl2500 And 2,3-dpg" 93.10 141 100.00 100.00 6.78e-10 PDB 4M4A "Human Hemoglobin Nitromethane Modified" 93.10 141 100.00 100.00 6.78e-10 PDB 4M4B "Human Hemoglobin Nitroethane Modified" 93.10 141 100.00 100.00 6.78e-10 PDB 4MQC "Carbonmonoxy Structure Of Hemoglobin Evans Alphav62mbetawt" 93.10 141 100.00 100.00 6.72e-10 PDB 4MQG "Structure Of Carbonmonoxy Adult Hemoglobin Bristol-alesha Alphawtbetav67m" 93.10 141 100.00 100.00 6.78e-10 PDB 4MQH "Structure Of Aquomet Hemoglobin Evans Alphav62mbetawt" 93.10 139 100.00 100.00 6.47e-10 PDB 4MQI "Structure Of Aquomet Hemoglobin Bristol-alesha Alphawtbetav67m" 93.10 140 100.00 100.00 7.08e-10 PDB 4MQJ "Structure Of Wild-type Fetal Human Hemoglobin Hbf" 93.10 141 100.00 100.00 6.78e-10 PDB 4MQK "Carbonmonoxy Structure Of The Human Fetal Hemoglobin Mutant Hbf Toms River Alphawtgammav67m" 93.10 141 100.00 100.00 6.78e-10 PDB 4N7N "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Full-liganded Human Haemoglobin " 93.10 141 100.00 100.00 6.78e-10 PDB 4N7O "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " 93.10 141 100.00 100.00 6.78e-10 PDB 4N7P "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " 93.10 141 100.00 100.00 6.78e-10 PDB 4N8T "Human Hemoglobin Nitric Oxide Adduct" 93.10 141 100.00 100.00 6.78e-10 PDB 4NI0 "Quaternary R3 Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" 93.10 141 100.00 100.00 6.78e-10 PDB 4NI1 "Qauternary R Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" 93.10 141 100.00 100.00 6.78e-10 PDB 4WJG "Structure Of T. Brucei Haptoglobin-hemoglobin Receptor Binding To Human Haptoglobin-hemoglobin" 93.10 141 100.00 100.00 6.78e-10 PDB 6HBW "Crystal Structure Of Deoxy-human Hemoglobin Beta6 Glu->trp" 93.10 141 100.00 100.00 6.78e-10 DBJ BAD97112 "alpha 2 globin variant [Homo sapiens]" 93.10 142 100.00 100.00 7.57e-10 DBJ BAJ20323 "hemoglobin, alpha 1 [synthetic construct]" 93.10 142 100.00 100.00 6.57e-10 EMBL CAA23748 "alpha globin [Homo sapiens]" 93.10 142 100.00 100.00 6.57e-10 EMBL CAA23749 "alpha globin [Homo sapiens]" 51.72 128 100.00 100.00 6.34e-01 EMBL CAA23750 "alpha 1 globin [Homo sapiens]" 93.10 141 100.00 100.00 6.78e-10 EMBL CAA23752 "hemoglobin alpha chain [Homo sapiens]" 93.10 142 100.00 100.00 6.57e-10 EMBL CAA23774 "alpha-2-globin [Homo sapiens]" 93.10 141 100.00 100.00 6.78e-10 GB AAA30909 "alpha-i globin [Capra hircus]" 93.10 142 100.00 100.00 7.96e-10 GB AAA30910 "alpha-ii globin [Capra hircus]" 93.10 142 100.00 100.00 8.46e-10 GB AAA36844 "alpha-globin [Macaca mulatta]" 93.10 142 100.00 100.00 9.17e-10 GB AAA52631 "alpha-globin, partial [Homo sapiens]" 82.76 28 100.00 100.00 1.96e-07 GB AAB22948 "hemoglobin AA phenotype alpha 1 chain [Bubalus bubalis=river buffaloes, Peptide, 142 aa]" 96.55 142 100.00 100.00 3.04e-10 PIR A24693 "hemoglobin alpha-1 chain - stump-tailed macaque" 93.10 141 100.00 100.00 9.38e-10 PIR HAMQR "hemoglobin alpha-2 chain - rhesus macaque" 93.10 142 100.00 100.00 9.17e-10 PRF 0907233A "hemoglobin alpha" 93.10 141 100.00 100.00 6.78e-10 PRF 1004268B "hemoglobin alphaII" 96.55 141 100.00 100.00 2.54e-10 PRF 1004272A "hemoglobin alpha" 93.10 141 100.00 100.00 8.91e-10 PRF 1004272B "hemoglobin alpha" 93.10 141 100.00 100.00 7.66e-10 PRF 1509322A "hemoglobin alpha" 93.10 141 100.00 100.00 9.00e-10 REF NP_000508 "hemoglobin subunit alpha [Homo sapiens]" 93.10 142 100.00 100.00 6.57e-10 REF NP_000549 "hemoglobin subunit alpha [Homo sapiens]" 93.10 142 100.00 100.00 6.57e-10 REF NP_001036091 "hemoglobin subunit alpha [Pan troglodytes]" 93.10 142 100.00 100.00 6.57e-10 REF NP_001036092 "hemoglobin subunit alpha [Pan troglodytes]" 93.10 142 100.00 100.00 6.57e-10 REF NP_001038189 "hemoglobin subunit theta-1 [Macaca mulatta]" 93.10 142 100.00 100.00 9.17e-10 SP P01923 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Gorilla gorilla goril" 93.10 141 100.00 100.00 7.06e-10 SP P01924 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Semnopithecus entellu" 93.10 141 100.00 100.00 9.76e-10 SP P01926 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Chlorocebus aethiops]" 93.10 142 100.00 100.00 9.17e-10 SP P01928 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Sapajus apella]" 93.10 142 100.00 100.00 9.26e-10 SP P01929 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Saguinus fuscicollis]" 93.10 141 100.00 100.00 8.22e-10 TPG DAA15749 "TPA: hemoglobin subunit alpha [Bos taurus]" 96.55 142 100.00 100.00 1.93e-10 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'AMINO GROUP' _BMRB_code . _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 16:28:00 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Hb3361a 'southern cattle tick' 6941 Eukaryota Metazoa Boophilus microplus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Hb3361a 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelles _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hb3361a 1 mM . SDS 200 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version . loop_ _Task 'semi-automated peak assignments' stop_ _Details . save_ save_NMRPIPE-NMRVIEW _Saveframe_category software _Name NMRPIPE-NMRVIEW _Version . loop_ _Task 'semi-automated peak assignments' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Task 'simulated annealing' stop_ _Details . save_ save_DISCOVER _Saveframe_category software _Name DISCOVER _Version . loop_ _Task 'energy minimization' stop_ _Details . save_ save_INSIGHTII _Saveframe_category software _Name INSIGHTII _Version . loop_ _Task 'structure vizualization' stop_ _Details . save_ save_PROCHECK-NMR _Saveframe_category software _Name PROCHECK-NMR _Version . loop_ _Task 'statistical analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Task 'statistical analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_Noesy_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Noesy' _Sample_label $sample_1 save_ save_2D_Tocsy_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Tocsy' _Sample_label $sample_1 save_ save_2D_DQFCOSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQFCOSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Hb3361a_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 0.5 pH temperature 310 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_phem_chem_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Hb3361a_condition _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Hb3361a monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 PHE HA H 4.230 0.02 1 2 . 1 PHE HB3 H 3.170 0.02 2 3 . 1 PHE HB2 H 3.060 0.02 2 4 . 1 PHE HD1 H 6.970 0.02 1 5 . 1 PHE HE1 H 7.120 0.02 1 6 . 1 PHE HE2 H 7.120 0.02 1 7 . 1 PHE HD2 H 6.970 0.02 1 8 . 2 LEU H H 7.430 0.02 1 9 . 2 LEU HA H 3.900 0.02 1 10 . 2 LEU HB3 H 1.320 0.02 2 11 . 2 LEU HB2 H 1.240 0.02 2 12 . 2 LEU HG H 1.010 0.02 1 13 . 2 LEU HD1 H 0.630 0.02 2 14 . 2 LEU HD2 H 0.660 0.02 2 15 . 3 SER H H 7.550 0.02 1 16 . 3 SER HA H 4.370 0.02 1 17 . 3 SER HB3 H 3.670 0.02 2 18 . 3 SER HB2 H 3.650 0.02 2 19 . 4 PHE H H 7.990 0.02 1 20 . 4 PHE HA H 4.620 0.02 1 21 . 4 PHE HB3 H 3.040 0.02 2 22 . 4 PHE HB2 H 2.940 0.02 2 23 . 4 PHE HD1 H 7.040 0.02 1 24 . 4 PHE HE1 H 7.170 0.02 1 25 . 4 PHE HE2 H 7.170 0.02 1 26 . 4 PHE HD2 H 7.040 0.02 1 27 . 5 PRO HA H 4.410 0.02 1 28 . 5 PRO HB3 H 2.140 0.02 2 29 . 5 PRO HB2 H 1.970 0.02 2 30 . 5 PRO HG2 H 1.870 0.02 2 31 . 5 PRO HD2 H 3.340 0.02 2 32 . 6 THR H H 7.840 0.02 1 33 . 6 THR HA H 4.300 0.02 1 34 . 6 THR HB H 4.230 0.02 1 35 . 6 THR HG2 H 1.130 0.02 1 36 . 7 THR H H 7.710 0.02 1 37 . 7 THR HA H 4.270 0.02 1 38 . 7 THR HB H 4.150 0.02 1 39 . 7 THR HG2 H 1.010 0.02 1 40 . 8 LYS H H 7.870 0.02 1 41 . 8 LYS HA H 4.100 0.02 1 42 . 8 LYS HB3 H 1.730 0.02 2 43 . 8 LYS HB2 H 1.660 0.02 2 44 . 8 LYS HG2 H 1.320 0.02 2 45 . 8 LYS HD2 H 1.560 0.02 2 46 . 8 LYS HE2 H 2.870 0.02 2 47 . 9 THR H H 7.690 0.02 1 48 . 9 THR HA H 4.080 0.02 1 49 . 9 THR HB H 3.890 0.02 1 50 . 9 THR HG2 H 0.900 0.02 1 51 . 10 TYR H H 7.630 0.02 1 52 . 10 TYR HA H 4.270 0.02 1 53 . 10 TYR HB2 H 2.630 0.02 2 54 . 10 TYR HD1 H 6.870 0.02 1 55 . 10 TYR HE1 H 6.610 0.02 1 56 . 10 TYR HE2 H 6.610 0.02 1 57 . 10 TYR HD2 H 6.870 0.02 1 58 . 11 PHE H H 7.570 0.02 1 59 . 11 PHE HA H 4.650 0.02 1 60 . 11 PHE HB3 H 2.980 0.02 2 61 . 11 PHE HB2 H 2.840 0.02 2 62 . 11 PHE HD1 H 6.950 0.02 1 63 . 11 PHE HE1 H 7.130 0.02 1 64 . 11 PHE HE2 H 7.130 0.02 1 65 . 11 PHE HD2 H 6.950 0.02 1 66 . 12 PRO HA H 4.280 0.02 1 67 . 12 PRO HB3 H 2.210 0.02 2 68 . 12 PRO HB2 H 1.970 0.02 2 69 . 12 PRO HG2 H 1.880 0.02 2 70 . 12 PRO HD2 H 3.660 0.02 2 71 . 13 HIS H H 7.930 0.02 1 72 . 13 HIS HA H 4.520 0.02 1 73 . 13 HIS HB2 H 3.030 0.02 2 74 . 13 HIS HD2 H 7.110 0.02 3 75 . 13 HIS HE2 H 8.440 0.02 3 76 . 14 PHE H H 7.700 0.02 1 77 . 14 PHE HA H 4.490 0.02 1 78 . 14 PHE HB3 H 3.020 0.02 2 79 . 14 PHE HB2 H 2.840 0.02 2 80 . 14 PHE HD1 H 7.270 0.02 1 81 . 14 PHE HE1 H 7.100 0.02 1 82 . 14 PHE HZ H 7.190 0.02 1 83 . 14 PHE HE2 H 7.100 0.02 1 84 . 14 PHE HD2 H 7.270 0.02 1 85 . 15 ASP H H 8.110 0.02 1 86 . 15 ASP HA H 4.580 0.02 1 87 . 15 ASP HB3 H 2.750 0.02 2 88 . 15 ASP HB2 H 2.580 0.02 2 89 . 16 LEU H H 7.890 0.02 1 90 . 16 LEU HA H 4.160 0.02 1 91 . 16 LEU HB3 H 1.560 0.02 2 92 . 16 LEU HB2 H 1.490 0.02 2 93 . 16 LEU HG H 1.310 0.02 1 94 . 16 LEU HD1 H 0.800 0.02 2 95 . 16 LEU HD2 H 0.750 0.02 2 96 . 17 SER H H 8.010 0.02 1 97 . 17 SER HA H 4.240 0.02 1 98 . 17 SER HB3 H 3.700 0.02 2 99 . 17 SER HB2 H 3.720 0.02 2 100 . 18 HIS H H 8.070 0.02 1 101 . 18 HIS HA H 4.570 0.02 1 102 . 18 HIS HB3 H 3.190 0.02 2 103 . 18 HIS HB2 H 3.070 0.02 2 104 . 18 HIS HD2 H 7.220 0.02 3 105 . 18 HIS HE2 H 8.490 0.02 3 106 . 19 GLY H H 8.150 0.02 1 107 . 19 GLY HA2 H 3.850 0.02 2 108 . 20 SER H H 8.010 0.02 1 109 . 20 SER HA H 4.240 0.02 1 110 . 20 SER HB3 H 3.760 0.02 2 111 . 20 SER HB2 H 3.770 0.02 2 112 . 21 ALA H H 7.930 0.02 1 113 . 21 ALA HA H 4.130 0.02 1 114 . 21 ALA HB H 1.270 0.02 1 115 . 22 GLN H H 7.900 0.02 1 116 . 22 GLN HA H 4.270 0.02 1 117 . 22 GLN HB3 H 1.970 0.02 2 118 . 22 GLN HB2 H 1.870 0.02 2 119 . 22 GLN HG3 H 2.200 0.02 2 120 . 22 GLN HG2 H 2.130 0.02 2 121 . 22 GLN HE21 H 7.230 0.02 2 122 . 22 GLN HE22 H 6.560 0.02 2 123 . 23 VAL H H 7.770 0.02 1 124 . 23 VAL HA H 3.870 0.02 1 125 . 23 VAL HB H 2.000 0.02 1 126 . 23 VAL HG2 H 0.810 0.02 2 127 . 23 VAL HG1 H 0.830 0.02 2 128 . 24 LYS H H 7.840 0.02 1 129 . 24 LYS HA H 4.080 0.02 1 130 . 24 LYS HB3 H 1.730 0.02 2 131 . 24 LYS HB2 H 1.660 0.02 2 132 . 24 LYS HG2 H 1.320 0.02 2 133 . 24 LYS HD2 H 1.560 0.02 2 134 . 24 LYS HE2 H 2.870 0.02 2 135 . 25 GLY H H 8.030 0.02 1 136 . 25 GLY HA2 H 3.790 0.02 2 137 . 26 HIS H H 8.010 0.02 1 138 . 26 HIS HA H 4.510 0.02 1 139 . 26 HIS HB3 H 3.200 0.02 2 140 . 26 HIS HB2 H 3.090 0.02 2 141 . 26 HIS HD2 H 7.280 0.02 3 142 . 26 HIS HE2 H 8.550 0.02 3 143 . 27 GLY H H 8.150 0.02 1 144 . 27 GLY HA2 H 3.850 0.02 2 145 . 28 ALA H H 7.970 0.02 1 146 . 28 ALA HA H 4.170 0.02 1 147 . 28 ALA HB H 1.270 0.02 1 148 . 29 LYS H H 7.870 0.02 1 149 . 29 LYS HA H 4.100 0.02 1 150 . 29 LYS HB3 H 1.730 0.02 2 151 . 29 LYS HB2 H 1.660 0.02 2 152 . 29 LYS HG2 H 1.320 0.02 2 153 . 29 LYS HD2 H 1.560 0.02 2 154 . 29 LYS HE2 H 2.870 0.02 2 155 . 30 NH2 HN1 H 7.150 0.02 2 156 . 30 NH2 HN2 H 6.770 0.02 2 stop_ save_ ######################## # Coupling constants # ######################## save_phem_Jcoup_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Hb3361a_condition _Spectrometer_frequency_1H 600 _Mol_system_component_name 'Hb3361a monomer' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 2 LEU H 2 LEU HA 6.2 . . 0.5 2 3JHNHA 3 SER H 3 SER HA 6.4 . . 0.5 3 3JHNHA 4 PHE H 4 PHE HA 5.0 . . 0.5 4 3JHNHA 6 THR H 6 THR HA 5.8 . . 0.5 5 3JHNHA 7 THR H 7 THR HA 5.4 . . 0.5 6 3JHNHA 8 LYS H 8 LYS HA 5.8 . . 0.5 7 3JHNHA 9 THR H 9 THR HA 5.4 . . 0.5 8 3JHNHA 10 TYR H 10 TYR HA 6.6 . . 0.5 9 3JHNHA 11 PHE H 11 PHE HA 7.4 . . 0.5 10 3JHNHA 13 HIS H 13 HIS HA 8.9 . . 0.5 11 3JHNHA 14 PHE H 14 PHE HA 6.6 . . 0.5 12 3JHNHA 15 ASP H 15 ASP HA 4.8 . . 0.5 13 3JHNHA 16 LEU H 16 LEU HA 6.6 . . 0.5 14 3JHNHA 17 SER H 17 SER HA 6.0 . . 0.5 15 3JHNHA 18 HIS H 18 HIS HA 4.4 . . 0.5 16 3JHNHA 20 SER H 20 SER HA 5.0 . . 0.5 17 3JHNHA 21 ALA H 21 ALA HA 4.6 . . 0.5 18 3JHNHA 22 GLN H 22 GLN HA 5.4 . . 0.5 19 3JHNHA 23 VAL H 23 VAL HA 5.6 . . 0.5 20 3JHNHA 24 LYS H 24 LYS HA 5.0 . . 0.5 21 3JHNHA 28 ALA H 28 ALA HA 4.0 . . 0.5 22 3JHNHA 29 LYS H 29 LYS HA 4.2 . . 0.5 stop_ save_