data_6360 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; IDENTIFICATION OF MINIMAL PEPTIDE SEQUENCE IN THE AMIDATED FRAGMENT 33-61 OF BOVINE a-HEMOGLBIN ; _BMRB_accession_number 6360 _BMRB_flat_file_name bmr6360.str _Entry_type original _Submission_date 2004-10-18 _Accession_date 2004-10-18 _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 Machado Alessandra . . 2 Silva Fernanda D. . 3 Miranda Antonio . . 4 Daffre Sirlei . . 5 Sforca Mauricio L. . 6 Spisni Alberto . . 7 Pertinhez Thelma A. . 8 Miranda 'M. Teresa' M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 108 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. . 4 Oyama Sergio . Jr. 5 Silva Fernanda D. . 6 Miranda Antonio . . 7 Daffre Sirlei . . 8 Miranda M. Teresa . 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 . loop_ _Keyword 'STRUCTURAL REQUIREMENTS' 'MINIMAL PEPTIDE SEQUENCE' 'antimicrobial peptide' stop_ save_ ################################## # Molecular system description # ################################## save_system_Hb40-61 _Saveframe_category molecular_system _Mol_system_name '40-61 bovine alpha-hemoglobin fragment' _Abbreviation_common Hb40-61 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'fragment 40-61 amidated' $Hb40-61a stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'antimicrobial peptide' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hb40-61a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'amidated fragment (40-61) of bovine alpha-hemoglobin' _Abbreviation_common Hb40-61a _Molecular_mass 2412.7 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; KTYFPHFDLSHGSAQVKGHG AKX ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 THR 3 TYR 4 PHE 5 PRO 6 HIS 7 PHE 8 ASP 9 LEU 10 SER 11 HIS 12 GLY 13 SER 14 ALA 15 GLN 16 VAL 17 LYS 18 GLY 19 HIS 20 GLY 21 ALA 22 LYS 23 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" 90.91 141 100.00 100.00 4.50e-05 BMRB 16891 HBA1 90.91 141 100.00 100.00 4.50e-05 BMRB 16898 HBA1 90.91 141 100.00 100.00 4.50e-05 BMRB 25 "hemoglobin A alpha chain" 90.91 141 100.00 100.00 4.50e-05 BMRB 2707 "hemoglobin A alpha chain" 90.91 141 100.00 100.00 4.50e-05 BMRB 2709 "hemoglobin A alpha chain" 90.91 141 100.00 100.00 4.50e-05 BMRB 2868 "hemoglobin A alpha chain" 90.91 141 100.00 100.00 4.50e-05 BMRB 3442 "hemoglobin A alpha chain" 90.91 141 100.00 100.00 4.50e-05 BMRB 5809 Hb_A 90.91 141 100.00 100.00 4.50e-05 BMRB 6048 Hb3361a 95.45 29 100.00 100.00 2.15e-05 BMRB 6413 40-61_fragment 95.45 22 100.00 100.00 2.30e-05 BMRB 907 "hemoglobin A alpha chain" 90.91 141 100.00 100.00 4.50e-05 PDB 1A00 "Hemoglobin (Val Beta1 Met, Trp Beta37 Tyr) Mutant" 90.91 141 100.00 100.00 4.50e-05 PDB 1A01 "Hemoglobin (Val Beta1 Met, Trp Beta37 Ala) Mutant" 90.91 141 100.00 100.00 4.50e-05 PDB 1A0U "Hemoglobin (Val Beta1 Met) Mutant" 90.91 141 100.00 100.00 4.50e-05 PDB 1A0Z "Hemoglobin (Val Beta1 Met) Mutant" 90.91 141 100.00 100.00 4.50e-05 PDB 1A3N "Deoxy Human Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1A9W "Human Embryonic Gower Ii Carbonmonoxy Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1ABW "Deoxy Rhb1.1 (Recombinant Hemoglobin)" 90.91 283 100.00 100.00 1.94e-04 PDB 1ABY "Cyanomet Rhb1.1 (Recombinant Hemoglobin)" 90.91 283 100.00 100.00 1.94e-04 PDB 1B86 "Human Deoxyhaemoglobin-2,3-Diphosphoglycerate Complex" 90.91 141 100.00 100.00 4.50e-05 PDB 1BAB "Hemoglobin Thionville: An Alpha-Chain Variant With A Substitution Of A Glutamate For Valine At Na-1 And Having An Acetylated Me" 90.91 143 100.00 100.00 4.50e-05 PDB 1BBB "A Third Quaternary Structure Of Human Hemoglobin A At 1.7-angstroms Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1BIJ "Crosslinked, Deoxy Human Hemoglobin A" 90.91 141 100.00 100.00 4.50e-05 PDB 1BUW "Crystal Structure Of S-Nitroso-Nitrosyl Human Hemoglobin A" 90.91 141 100.00 100.00 4.50e-05 PDB 1BZ0 "Hemoglobin A (Human, Deoxy, High Salt)" 90.91 141 100.00 100.00 4.50e-05 PDB 1BZ1 "Hemoglobin (Alpha + Met) Variant" 90.91 142 100.00 100.00 4.22e-05 PDB 1BZZ "Hemoglobin (Alpha V1m) Mutant" 90.91 141 100.00 100.00 4.50e-05 PDB 1C7B "Deoxy Rhb1.0 (Recombinant Hemoglobin)" 90.91 141 100.00 100.00 4.50e-05 PDB 1C7C "Deoxy Rhb1.1 (Recombinant Hemoglobin)" 90.91 283 100.00 100.00 1.94e-04 PDB 1C7D "Deoxy Rhb1.2 (Recombinant Hemoglobin)" 90.91 284 100.00 100.00 2.00e-04 PDB 1CLS "Cross-Linked Human Hemoglobin Deoxy" 90.91 141 100.00 100.00 4.50e-05 PDB 1CMY "The Mutation Beta99 Asp-Tyr Stabilizes Y-A New, Composite Quaternary State Of Human Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1COH "Structure Of Haemoglobin In The Deoxy Quaternary State With Ligand Bound At The Alpha Haems" 90.91 141 100.00 100.00 4.50e-05 PDB 1DKE "Ni Beta Heme Human Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1DXT "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" 90.91 141 100.00 100.00 4.50e-05 PDB 1DXU "High-Resolution X-Ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini" 90.91 141 100.00 100.00 4.50e-05 PDB 1DXV "High-resolution X-ray Study Of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-globins Having Mutated Amino Termini" 90.91 141 100.00 100.00 4.50e-05 PDB 1FDH "Structure Of Human Foetal Deoxyhaemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1FN3 "Crystal Structure Of Nickel Reconstituted Hemoglobin-A Case For Permanent, T-State Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1FSX "The X-Ray Structure Determination Of Bovine Carbonmonoxy Hb At 2.1 A Resolution And Its Relationship To The Quaternary Structur" 95.45 141 100.00 100.00 1.53e-05 PDB 1G08 "Carbonmonoxy Liganded Bovine Hemoglobin Ph 5.0" 95.45 141 100.00 100.00 1.53e-05 PDB 1G09 "Carbonmonoxy Liganded Bovine Hemoglobin Ph 7.2" 95.45 141 100.00 100.00 1.53e-05 PDB 1G0A "Carbonmonoxy Liganded Bovine Hemoglobin Ph 8.5" 95.45 141 100.00 100.00 1.53e-05 PDB 1G9V "High Resolution Crystal Structure Of Deoxy Hemoglobin Complexed With A Potent Allosteric Effector" 90.91 141 100.00 100.00 4.50e-05 PDB 1GBU "Deoxy (Beta-(C93a,C112g)) Human Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1GBV "(Alpha-Oxy, Beta-(C112g)deoxy) T-State Human Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1GLI "Deoxyhemoglobin T38w (alpha Chains), V1g (alpha And Beta Chains)" 90.91 141 100.00 100.00 4.55e-05 PDB 1GZX "Oxy T State Haemoglobin: Oxygen Bound At All Four Haems" 90.91 141 100.00 100.00 4.50e-05 PDB 1HAB "Crosslinked Haemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1HAC "Crosslinked Haemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1HBA "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" 90.91 141 100.00 100.00 4.50e-05 PDB 1HBB "High-Resolution X-Ray Study Of Deoxyhemoglobin Rothschild 37beta Trp-> Arg: A Mutation That Creates An Intersubunit Chloride-Bi" 90.91 141 100.00 100.00 4.50e-05 PDB 1HBS "Refined Crystal Structure Of Deoxyhemoglobin S. I. Restrained Least-Squares Refinement At 3.0-Angstroms Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1HCO "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1HDA "A Novel Allosteric Mechanism In Haemoglobin. Structure Of Bovine Deoxyhaemoglobin, Absence Of Specific Chloride- Binding Sites " 95.45 141 100.00 100.00 1.53e-05 PDB 1HDB "Analysis Of The Crystal Structure, Molecular Modeling And Infrared Spectroscopy Of The Distal Beta-Heme Pocket Valine67(E11)-Th" 90.91 141 100.00 100.00 4.50e-05 PDB 1HGA "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" 90.91 141 100.00 100.00 4.50e-05 PDB 1HGB "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-State Haemoglobins: T(Alpha-O" 90.91 141 100.00 100.00 4.50e-05 PDB 1HGC "High Resolution Crystal Structures And Comparisons Of T State Deoxyhaemoglobin And Two Liganded T-state Haemoglobins: T(alpha-o" 90.91 141 100.00 100.00 4.50e-05 PDB 1HHO "Structure Of Human Oxyhaemoglobin At 2.1 Angstroms Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1IRD "Crystal Structure Of Human Carbonmonoxy-Haemoglobin At 1.25 A Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1J3Y "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Hemoglobin; Crystal Structure Of Alpha(Fe)-Beta(N" 90.91 141 100.00 100.00 4.50e-05 PDB 1J3Z "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Fe-Co)-Be" 90.91 141 100.00 100.00 4.50e-05 PDB 1J40 "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" 90.91 141 100.00 100.00 4.50e-05 PDB 1J41 "Direct Observation Of Photolysis-Induced Tertiary Structural Changes In Human Haemoglobin; Crystal Structure Of Alpha(Ni)-Beta(" 90.91 141 100.00 100.00 4.50e-05 PDB 1J7W "Crystal Structure Of Deoxy Hbbetayq, A Site Directed Mutant Of Hba" 90.91 141 100.00 100.00 4.50e-05 PDB 1JY7 "The Structure Of Human Methemoglobin. The Variation Of A Theme" 90.91 141 100.00 100.00 4.50e-05 PDB 1K0Y "X-ray Crystallographic Analyses Of Symmetrical Allosteric Effectors Of Hemoglobin. Compounds Designed To Link Primary And Secon" 90.91 141 100.00 100.00 4.50e-05 PDB 1K1K "Structure Of Mutant Human Carbonmonoxyhemoglobin C (beta E6k) At 2.0 Angstrom Resolution In Phosphate Buffer." 90.91 141 100.00 100.00 4.50e-05 PDB 1KD2 "Crystal Structure Of Human Deoxyhemoglobin In Absence Of Any Anions" 90.91 141 100.00 100.00 4.50e-05 PDB 1LFL "Deoxy Hemoglobin (90% Relative Humidity)" 90.91 141 100.00 100.00 4.50e-05 PDB 1LFQ "Oxy Hemoglobin (93% Relative Humidity)" 90.91 141 100.00 100.00 4.50e-05 PDB 1LFT "Oxy Hemoglobin (90% Relative Humidity)" 90.91 141 100.00 100.00 4.50e-05 PDB 1LFV "Oxy Hemoglobin (88% Relative Humidity)" 90.91 141 100.00 100.00 4.50e-05 PDB 1LFY "Oxy Hemoglobin (84% Relative Humidity)" 90.91 141 100.00 100.00 4.50e-05 PDB 1LFZ "Oxy Hemoglobin (25% Methanol)" 90.91 141 100.00 100.00 4.50e-05 PDB 1LJW "Crystal Structure Of Human Carbonmonoxy Hemoglobin At 2.16 A: A Snapshot Of The Allosteric Transition" 90.91 141 100.00 100.00 4.50e-05 PDB 1M9P "Crystalline Human Carbonmonoxy Hemoglobin C Exhibits The R2 Quaternary State At Neutral Ph In The Presence Of Polyethylene Glyc" 90.91 141 100.00 100.00 4.50e-05 PDB 1MKO "A Fourth Quaternary Structure Of Human Hemoglobin A At 2.18 A Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1NEJ "Crystalline Human Carbonmonoxy Hemoglobin S (liganded Sickle Cell Hemoglobin) Exhibits The R2 Quaternary State At Neutral Ph In" 90.91 141 100.00 100.00 4.50e-05 PDB 1NIH "Structure Of Deoxy-Quaternary Haemoglobin With Liganded Beta Subunits" 90.91 141 100.00 100.00 4.50e-05 PDB 1NQP "Crystal Structure Of Human Hemoglobin E At 1.73 A Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1O1K "Deoxy Hemoglobin (A,C:v1m; B,D:v1m,V67w)" 90.91 141 100.00 100.00 4.50e-05 PDB 1O1N "Deoxy Hemoglobin (A-Glyglygly-C:v1m,L29w; B,D:v1m)" 90.91 285 100.00 100.00 2.22e-04 PDB 1O1O "Deoxy Hemoglobin (A,C:v1m,V62l; B,D:v1m,V67l)" 90.91 141 100.00 100.00 4.50e-05 PDB 1O1P "Deoxy Hemoglobin (A-Gly-C:v1m; B,D:v1m,C93a,N108k)" 90.91 283 100.00 100.00 1.94e-04 PDB 1QSH "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" 90.91 141 100.00 100.00 4.50e-05 PDB 1QSI "Magnesium(Ii)-And Zinc(Ii)-Protoporphyrin Ix's Stabilize The Lowest Oxygen Affinity State Of Human Hemoglobin Even More Strongl" 90.91 141 100.00 100.00 4.50e-05 PDB 1QXD "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" 90.91 141 100.00 100.00 4.50e-05 PDB 1QXE "Structural Basis For The Potent Antisickling Effect Of A Novel Class Of 5-Membered Heterocyclic Aldehydic Compounds" 90.91 141 100.00 100.00 4.50e-05 PDB 1R1X "Crystal Structure Of Oxy-Human Hemoglobin Bassett At 2.15 Angstrom" 90.91 141 100.00 100.00 4.12e-05 PDB 1R1Y "Crystal Structure Of Deoxy-Human Hemoglobin Bassett At 1.8 Angstrom" 90.91 141 100.00 100.00 4.12e-05 PDB 1RPS "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Hemoglobin Exposed To No Under" 90.91 141 100.00 100.00 4.50e-05 PDB 1RQ3 "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Deoxyhemoglobin, Deoxyhemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1RQ4 "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin, Hemoglobin Exposed To No Under" 90.91 141 100.00 100.00 4.50e-05 PDB 1RQA "Crystallographic Analysis Of The Interaction Of Nitric Oxide With Quaternary-T Human Hemoglobin. Beta W73e Hemoglobin Exposed T" 90.91 141 100.00 100.00 4.50e-05 PDB 1RVW "R State Human Hemoglobin [alpha V96w], Carbonmonoxy" 90.91 141 100.00 100.00 4.59e-05 PDB 1SDK "Cross-linked, Carbonmonoxy Hemoglobin A" 90.91 141 100.00 100.00 4.50e-05 PDB 1SDL "Cross-Linked, Carbonmonoxy Hemoglobin A" 90.91 141 100.00 100.00 4.50e-05 PDB 1SHR "Crystal Structure Of Ferrocyanide Bound Human Hemoglobin A2 At 1.88a Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1SI4 "Crystal Structure Of Human Hemoglobin A2 (In R2 State) At 2.2 A Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1THB "Refinement Of A Partially Oxygenated T State Haemoglobin At 1.5 Angstroms Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 1UIW "Crystal Structures Of Unliganded And Half-Liganded Human Hemoglobin Derivatives Cross-Linked Between Lys 82beta1 And Lys 82beta" 90.91 141 100.00 100.00 4.50e-05 PDB 1VWT "T State Human Hemoglobin [alpha V96w], Alpha Aquomet, Beta Deoxy" 90.91 141 100.00 100.00 4.59e-05 PDB 1XXT "The T-To-T High Transitions In Human Hemoglobin: Wild-Type Deoxy Hb A (Low Salt, One Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1XY0 "T-To-Thigh Transitions In Human Hemoglobin: Alphak40g Deoxy Low-Salt" 86.36 141 100.00 100.00 2.12e-04 PDB 1XZ2 "Wild-Type Hemoglobin Deoxy No-Salt" 90.91 141 100.00 100.00 4.50e-05 PDB 1XZ5 "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphal91a Deoxy Low-Salt" 90.91 141 100.00 100.00 4.37e-05 PDB 1XZ7 "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphar92a Deoxy Low-Salt" 90.91 141 100.00 100.00 4.20e-05 PDB 1XZU "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphad94g Deoxy Low-Salt" 90.91 141 100.00 100.00 4.64e-05 PDB 1XZV "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphap95a Deoxy Low-Salt" 90.91 141 100.00 100.00 3.96e-05 PDB 1Y01 "Crystal Structure Of Ahsp Bound To Fe(Ii) Alpha-Hemoglobin" 90.91 142 100.00 100.00 4.22e-05 PDB 1Y09 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphan97a Deoxy Low-Salt" 90.91 141 100.00 100.00 4.33e-05 PDB 1Y0A "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140a Deoxy Low-Salt" 90.91 141 100.00 100.00 4.04e-05 PDB 1Y0C "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Alphay140f Deoxy Low-Salt" 90.91 141 100.00 100.00 4.41e-05 PDB 1Y0D "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Desarg141alpha Deoxy Low-Salt" 90.91 140 100.00 100.00 4.57e-05 PDB 1Y0T "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y0W "T-To-Thigh Quaternary Transitions In Human Hemoglobin: Betav1m Deoxy Low-Salt (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y22 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y2Z "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav34g Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y31 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y35 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y45 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Deoxy Low-Salt (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y46 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Deoxy Low-Salt (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y4B "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Deoxy Low-Salt (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y4F "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Deoxy Low-Salt (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y4G "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Deoxy Low-Salt (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y4P "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Deoxy Low-Salt (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y4Q "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf42a Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y4R "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaf45a Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y4V "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betac93a Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y5F "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betal96a Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y5J "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betah97a Deoxy Low-salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y5K "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betad99a Deoxy Low-salt (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y7C "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y7D "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betap100g Deoxy Low-salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y7G "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan102a Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y7Z "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betan108a Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y83 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay145g Deoxy Low-Salt (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y85 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Deshis146beta Deoxy Low-Salt" 90.91 141 100.00 100.00 4.50e-05 PDB 1Y8W "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphar92a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 90.91 141 100.00 100.00 4.20e-05 PDB 1YDZ "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Alphay140f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 90.91 141 100.00 100.00 4.41e-05 PDB 1YE0 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betav33a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YE1 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YE2 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betay35f Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YEN "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap36a Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YEO "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YEQ "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37y Oxy (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YEU "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37g Oxy (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YEV "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37e Oxy (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YFF "Structure Of Human Carbonmonoxyhemoglobin C (beta E6k): Two Quaternary States (r2 And R3) In One Crystal" 90.91 141 100.00 100.00 4.50e-05 PDB 1YG5 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betaw37h Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YGD "T-to-t(high) Quaternary Transitions In Human Hemoglobin: Betaw37e Alpha Zinc Beta Oxy (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YGF "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betah97a Oxy (2mm Ihp, 20% Peg) (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YH9 "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (2mm Ihp, 20% Peg) (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YHE "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (5.0mm Ihp, 20% Peg) (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YHR "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Hba Oxy (10.0mm Ihp, 20% Peg) (10 Test Sets)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YIE "T-to-thigh Quaternary Transitions In Human Hemoglobin: Betaw37a Oxy (2.2mm Ihp, 13% Peg) (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YIH "T-To-T(High) Quaternary Transitions In Human Hemoglobin: Betap100a Oxy (2.2mm Ihp, 20% Peg) (1 Test Set)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YVQ "The Low Salt (Peg) Crystal Structure Of Co Hemoglobin E (Betae26k) Approaching Physiological Ph (Ph 7.5)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YVT "The High Salt (Phosphate) Crystal Structure Of Co Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" 90.91 141 100.00 100.00 4.50e-05 PDB 1YZI "A Novel Quaternary Structure Of Human Carbonmonoxy Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 1Z8U "Crystal Structure Of Oxidized Alpha Hemoglobin Bound To Ahsp" 90.91 142 100.00 100.00 4.22e-05 PDB 2D5Z "Crystal Structure Of T-State Human Hemoglobin Complexed With Three L35 Molecules" 90.91 141 100.00 100.00 4.50e-05 PDB 2D60 "Crystal Structure Of Deoxy Human Hemoglobin Complexed With Two L35 Molecules" 90.91 141 100.00 100.00 4.50e-05 PDB 2DN1 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Oxy Form" 90.91 141 100.00 100.00 4.50e-05 PDB 2DN2 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Deoxy Form" 90.91 141 100.00 100.00 4.50e-05 PDB 2DN3 "1.25a Resolution Crystal Structure Of Human Hemoglobin In The Carbonmonoxy Form" 90.91 141 100.00 100.00 4.50e-05 PDB 2DXM "Neutron Structure Analysis Of Deoxy Human Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 2H35 "Solution Structure Of Human Normal Adult Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 2HBC "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" 90.91 141 100.00 100.00 4.50e-05 PDB 2HBD "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 90.91 141 100.00 100.00 4.50e-05 PDB 2HBE "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 90.91 141 100.00 100.00 4.50e-05 PDB 2HBF "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" 90.91 141 100.00 100.00 4.50e-05 PDB 2HBS "The High Resolution Crystal Structure Of Deoxyhemoglobin S" 90.91 141 100.00 100.00 4.50e-05 PDB 2HCO "The Structure Of Human Carbonmonoxy Haemoglobin At 2.7 Angstroms Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 2HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 2HHD "Oxygen Affinity Modulation By The N-Termini Of The Beta- Chains In Human And Bovine Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 2HHE "Oxygen Affinity Modulation By The N-Termini Of The Beta Chains In Human And Bovine Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 2M6Z "Refined Solution Structure Of Human Adult Hemoglobin In The Carbonmonoxy Form" 90.91 141 100.00 100.00 4.50e-05 PDB 2QSP "Bovine Hemoglobin At Ph 5.7" 95.45 141 100.00 100.00 1.53e-05 PDB 2QSS "Bovine Hemoglobin At Ph 6.3" 95.45 141 100.00 100.00 1.53e-05 PDB 2QU0 "Crystal Structure Determination Of Sheep Methemoglobin At 2.7 Angstrom Resolution" 90.91 141 100.00 100.00 5.22e-05 PDB 2RI4 "Crystal Structure Determination Of Goat Methemoglobin At 2.7 Angstrom" 90.91 141 100.00 100.00 5.22e-05 PDB 2W6V "Structure Of Human Deoxy Hemoglobin A In Complex With Xenon" 90.91 141 100.00 100.00 4.50e-05 PDB 2YRS "Human Hemoglobin D Los Angeles: Crystal Structure" 90.91 141 100.00 100.00 4.50e-05 PDB 3B75 "Crystal Structure Of Glycated Human Haemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 3CIU "Site-Selective Glycosylation Of Cysteine-93 Beta On The Surface Of Bovine Hemoglobin And Its Application As A Novel Oxygen Ther" 95.45 141 100.00 100.00 1.53e-05 PDB 3CY5 "Crystal Structure Determination Of Buffalo (Bubalus Bubalis) Hemoglobin At 2 Angstrom Resolution" 95.45 141 100.00 100.00 1.62e-05 PDB 3D17 "A Triply Ligated Crystal Structure Of Relaxed State Human Hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 3D1A "Crystal Structure Determination Of Goat Hemoglobin At 2.61 Angstrom Resolution" 90.91 142 100.00 100.00 5.10e-05 PDB 3D7O "Human Hemoglobin, Nitrogen Dioxide Anion Modified" 90.91 141 100.00 100.00 4.50e-05 PDB 3DUT "The High Salt (Phosphate) Crystal Structure Of Deoxy Hemoglobin E (Glu26lys) At Physiological Ph (Ph 7.35)" 90.91 141 100.00 100.00 4.50e-05 PDB 3EU1 "Crystal Structure Determination Of Goat Hemoglobin (Capra Hircus) At 3 Angstrom Resolution" 90.91 141 100.00 100.00 5.22e-05 PDB 3HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 3HXN "The Structure Of Human Carbonmonoxyhemoglobin Complex To Ihp At 2.0 Angstrons Resolution." 90.91 141 100.00 100.00 4.50e-05 PDB 3IA3 "A Cis-Proline In Alpha-Hemoglobin Stabilizing Protein Directs The Structural Reorganization Of Alpha-Hemoglobin" 90.91 145 100.00 100.00 5.09e-05 PDB 3IC0 "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-298" 90.91 141 100.00 100.00 4.50e-05 PDB 3IC2 "Crystal Structure Of Liganded Hemoglobin In Complex With A Potent Antisickling Agent, Inn-266" 90.91 141 100.00 100.00 4.50e-05 PDB 3KMF "Room Temperature Time-Of-Flight Neutron Diffraction Study Of Deoxy Human Normal Adult Hemoglobin" 90.91 141 100.00 100.00 4.64e-05 PDB 3NL7 "Human Hemoglobin A Mutant Beta H63w Carbonmonoxy-Form" 90.91 141 100.00 100.00 4.50e-05 PDB 3ODQ "Structure Of A Crystal Form Of Human Methemoglobin Indicative Of Fiber Formation" 90.91 141 100.00 100.00 4.50e-05 PDB 3ONZ "Human Tetrameric Hemoglobin: Proximal Nitrite Ligand At Beta" 90.91 141 100.00 100.00 4.50e-05 PDB 3OO4 "R-State Human Hemoglobin: Nitriheme Modified At Alpha" 90.91 141 100.00 100.00 4.50e-05 PDB 3OO5 "R-State Human Hemoglobin: Nitriheme Modified" 90.91 141 100.00 100.00 4.50e-05 PDB 3OVU "Crystal Structure Of Human Alpha-Haemoglobin Complexed With Ahsp And The First Neat Domain Of Isdh From Staphylococcus Aureus" 90.91 141 100.00 100.00 4.50e-05 PDB 3P5Q "Ferric R-State Human Aquomethemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 3PI8 "Site-Specific Glycosylation Of Hemoglobin Utilizing Oxime Ligation Chemistry As A Viable Alternative To Pegylation" 95.45 141 100.00 100.00 1.53e-05 PDB 3PI9 "Site-Specific Glycosylation Of Hemoglobin Utilizing Oxime Ligation Chemistry As A Viable Alternative To Pegylation" 95.45 141 100.00 100.00 1.53e-05 PDB 3PIA "Site-Specific Glycosylation Of Hemoglobin Utilizing Oxime Ligation Chemistry As A Viable Alternative To Pegylation" 95.45 141 100.00 100.00 1.53e-05 PDB 3QJC "Human Hemoglobin A Mutant Beta H63l Carbonmonoxy-Form" 90.91 141 100.00 100.00 4.50e-05 PDB 3QJE "Human Hemoglobin A Mutant Beta H63l Deoxy-Form" 90.91 141 100.00 100.00 4.50e-05 PDB 3R5I "Crystal Structure Of Liganded Hemoglobin Complexed With A Potent Antisickling Agent, Inn-312" 90.91 141 100.00 100.00 4.50e-05 PDB 3S48 "Human Alpha-haemoglobin Complexed With The First Neat Domain Of Isdh From Staphylococcus Aureus" 90.91 141 100.00 100.00 4.50e-05 PDB 3S65 "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R2 Quaternary Structures" 90.91 141 100.00 100.00 4.50e-05 PDB 3S66 "Structures And Oxygen Affinities Of Crystalline Human Hemoglobin C (Beta6 Lys) In The R Quaternary Structures" 90.91 141 100.00 100.00 4.50e-05 PDB 3SZK "Crystal Structure Of Human Methaemoglobin Complexed With The First Neat Domain Of Isdh From Staphylococcus Aureus" 90.91 141 100.00 100.00 4.50e-05 PDB 3WCP "Deoxyhemoglobin Sh-drug Complex" 90.91 141 100.00 100.00 4.50e-05 PDB 3WHM "Structure Of Hemoglobin Complex With 18-crown-6" 90.91 141 100.00 100.00 4.50e-05 PDB 4FC3 "Crystal Structure Of Human Methaemoglobin Complexed With The Second Neat Domain Of Isdh From Staphylococcus Aureus" 90.91 141 100.00 100.00 4.50e-05 PDB 4HHB "The Crystal Structure Of Human Deoxyhaemoglobin At 1.74 Angstroms Resolution" 90.91 141 100.00 100.00 4.50e-05 PDB 4IJ2 "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh From Staphylococcus Aureus" 90.91 141 100.00 100.00 4.50e-05 PDB 4L7Y "Deoxygenated Hb In Complex With The Allosteric Effectors, Irl2500 And 2,3-dpg" 90.91 141 100.00 100.00 4.50e-05 PDB 4M4A "Human Hemoglobin Nitromethane Modified" 90.91 141 100.00 100.00 4.50e-05 PDB 4M4B "Human Hemoglobin Nitroethane Modified" 90.91 141 100.00 100.00 4.50e-05 PDB 4MQC "Carbonmonoxy Structure Of Hemoglobin Evans Alphav62mbetawt" 90.91 141 100.00 100.00 4.50e-05 PDB 4MQG "Structure Of Carbonmonoxy Adult Hemoglobin Bristol-alesha Alphawtbetav67m" 90.91 141 100.00 100.00 4.50e-05 PDB 4MQH "Structure Of Aquomet Hemoglobin Evans Alphav62mbetawt" 90.91 139 100.00 100.00 4.16e-05 PDB 4MQI "Structure Of Aquomet Hemoglobin Bristol-alesha Alphawtbetav67m" 90.91 140 100.00 100.00 4.57e-05 PDB 4MQJ "Structure Of Wild-type Fetal Human Hemoglobin Hbf" 90.91 141 100.00 100.00 4.50e-05 PDB 4MQK "Carbonmonoxy Structure Of The Human Fetal Hemoglobin Mutant Hbf Toms River Alphawtgammav67m" 90.91 141 100.00 100.00 4.50e-05 PDB 4N7N "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Full-liganded Human Haemoglobin " 90.91 141 100.00 100.00 4.50e-05 PDB 4N7O "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " 90.91 141 100.00 100.00 4.50e-05 PDB 4N7P "Capturing The Haemoglobin Allosteric Transition In A Single Crystal Form; Crystal Structure Of Half-liganded Human Haemoglobin " 90.91 141 100.00 100.00 4.50e-05 PDB 4N8T "Human Hemoglobin Nitric Oxide Adduct" 90.91 141 100.00 100.00 4.50e-05 PDB 4NI0 "Quaternary R3 Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" 90.91 141 100.00 100.00 4.50e-05 PDB 4NI1 "Qauternary R Co-liganded Hemoglobin Structure In Complex With A Thiol Containing Compound" 90.91 141 100.00 100.00 4.50e-05 PDB 4WJG "Structure Of T. Brucei Haptoglobin-hemoglobin Receptor Binding To Human Haptoglobin-hemoglobin" 90.91 141 100.00 100.00 4.50e-05 PDB 6HBW "Crystal Structure Of Deoxy-human Hemoglobin Beta6 Glu->trp" 90.91 141 100.00 100.00 4.50e-05 DBJ BAD97112 "alpha 2 globin variant [Homo sapiens]" 90.91 142 100.00 100.00 4.80e-05 DBJ BAJ20323 "hemoglobin, alpha 1 [synthetic construct]" 90.91 142 100.00 100.00 4.22e-05 EMBL CAA23748 "alpha globin [Homo sapiens]" 90.91 142 100.00 100.00 4.22e-05 EMBL CAA23749 "alpha globin [Homo sapiens]" 68.18 128 100.00 100.00 7.53e-01 EMBL CAA23750 "alpha 1 globin [Homo sapiens]" 90.91 141 100.00 100.00 4.50e-05 EMBL CAA23752 "hemoglobin alpha chain [Homo sapiens]" 90.91 142 100.00 100.00 4.22e-05 EMBL CAA23774 "alpha-2-globin [Homo sapiens]" 90.91 141 100.00 100.00 4.50e-05 GB AAA30909 "alpha-i globin [Capra hircus]" 90.91 142 100.00 100.00 5.10e-05 GB AAA30910 "alpha-ii globin [Capra hircus]" 90.91 142 100.00 100.00 5.41e-05 GB AAA36844 "alpha-globin [Macaca mulatta]" 90.91 142 100.00 100.00 5.75e-05 GB AAA52631 "alpha-globin, partial [Homo sapiens]" 77.27 28 100.00 100.00 1.11e-02 GB AAB22948 "hemoglobin AA phenotype alpha 1 chain [Bubalus bubalis=river buffaloes, Peptide, 142 aa]" 95.45 142 100.00 100.00 2.05e-05 PIR A24693 "hemoglobin alpha-1 chain - stump-tailed macaque" 90.91 141 100.00 100.00 5.60e-05 PIR HAMQR "hemoglobin alpha-2 chain - rhesus macaque" 90.91 142 100.00 100.00 5.75e-05 PRF 0907233A "hemoglobin alpha" 90.91 141 100.00 100.00 4.50e-05 PRF 1004268B "hemoglobin alphaII" 95.45 141 100.00 100.00 1.61e-05 PRF 1004272A "hemoglobin alpha" 90.91 141 100.00 100.00 5.94e-05 PRF 1004272B "hemoglobin alpha" 90.91 141 100.00 100.00 5.33e-05 PRF 1509322A "hemoglobin alpha" 90.91 141 100.00 100.00 5.55e-05 REF NP_000508 "hemoglobin subunit alpha [Homo sapiens]" 90.91 142 100.00 100.00 4.22e-05 REF NP_000549 "hemoglobin subunit alpha [Homo sapiens]" 90.91 142 100.00 100.00 4.22e-05 REF NP_001036091 "hemoglobin subunit alpha [Pan troglodytes]" 90.91 142 100.00 100.00 4.22e-05 REF NP_001036092 "hemoglobin subunit alpha [Pan troglodytes]" 90.91 142 100.00 100.00 4.22e-05 REF NP_001038189 "hemoglobin subunit theta-1 [Macaca mulatta]" 90.91 142 100.00 100.00 5.75e-05 SP P01923 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Gorilla gorilla goril" 90.91 141 100.00 100.00 4.68e-05 SP P01924 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Semnopithecus entellu" 90.91 141 100.00 100.00 6.06e-05 SP P01926 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Chlorocebus aethiops]" 90.91 142 100.00 100.00 5.75e-05 SP P01928 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Sapajus apella]" 90.91 142 100.00 100.00 5.86e-05 SP P01929 "RecName: Full=Hemoglobin subunit alpha; AltName: Full=Alpha-globin; AltName: Full=Hemoglobin alpha chain [Saguinus fuscicollis]" 90.91 141 100.00 100.00 5.33e-05 TPG DAA15749 "TPA: hemoglobin subunit alpha [Bos taurus]" 95.45 142 100.00 100.00 1.43e-05 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 1 10:18:50 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 $Hb40-61a . . unclassified . . . 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 $Hb40-61a 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelles _Details 'SDS micelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hb40-61a 1.0 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRrpipe _Saveframe_category software _Name NMRrpipe _Version 5 _Details ; Delaglio, F.; Grzesiek, S.; Vuister, G. W.; Zhu, G.; Pfeifer, J.; Bax, A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR 1995, 6, 277-293. ; save_ save_NMRview _Saveframe_category software _Name NMRview _Version 5 _Details ; Johnson, B.; Blevins, R. A. NMRView: A computer program for the visualization and analysis of NMR data. J. Biomol. NMR 1994, 4, 603-614 ; save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 _Details ; Guntert, P.; Mumenthaler, C.; Wuthrich, K. Torsion angle dynamics for NMR structure calculation with the new program dyana. J. Mol. Biol. 1997, 273, 283-298" ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H DQF-COSY' _Sample_label $sample_1 save_ save_1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H TOCSY' _Sample_label $sample_1 save_ save_1H-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-NOESY _Sample_label $sample_1 save_ save_1H_ROESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H ROESY' _Sample_label $sample_1 save_ save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H ROESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 0.1 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_shift_Hb4061a _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'fragment 40-61 amidated' _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 LYS HA H 4.087 0.02 1 2 . 1 LYS HB3 H 1.896 0.02 2 3 . 1 LYS HG2 H 1.360 0.02 2 4 . 1 LYS HD2 H 1.692 0.02 2 5 . 2 THR H H 8.254 0.02 1 6 . 2 THR HA H 4.359 0.02 1 7 . 2 THR HB H 4.007 0.02 1 8 . 2 THR HG2 H 1.081 0.02 1 9 . 3 TYR H H 8.074 0.02 1 10 . 3 TYR HA H 4.368 0.02 1 11 . 3 TYR HB3 H 2.720 0.02 2 12 . 3 TYR HE2 H 7.051 0.02 3 13 . 3 TYR HD2 H 6.753 0.02 3 14 . 4 PHE H H 7.821 0.02 1 15 . 4 PHE HA H 4.862 0.02 1 16 . 4 PHE HB3 H 2.996 0.02 2 17 . 4 PHE HB2 H 3.153 0.02 2 18 . 4 PHE HE2 H 7.246 0.02 3 19 . 4 PHE HD2 H 7.118 0.02 3 20 . 5 PRO HA H 4.266 0.02 1 21 . 5 PRO HB3 H 1.861 0.02 2 22 . 5 PRO HB2 H 2.110 0.02 2 23 . 5 PRO HG3 H 1.783 0.02 2 24 . 5 PRO HG2 H 1.573 0.02 2 25 . 5 PRO HD3 H 3.552 0.02 2 26 . 5 PRO HD2 H 3.487 0.02 2 27 . 6 HIS H H 8.103 0.02 1 28 . 6 HIS HA H 4.643 0.02 1 29 . 6 HIS HB3 H 3.180 0.02 2 30 . 6 HIS HD2 H 8.590 0.02 3 31 . 6 HIS HE2 H 7.232 0.02 3 32 . 7 PHE H H 7.859 0.02 1 33 . 7 PHE HA H 4.637 0.02 1 34 . 7 PHE HB3 H 3.185 0.02 2 35 . 7 PHE HB2 H 2.997 0.02 2 36 . 7 PHE HZ H 7.229 0.02 1 37 . 7 PHE HE2 H 7.293 0.02 3 38 . 7 PHE HD2 H 7.145 0.02 3 39 . 8 ASP H H 8.295 0.02 1 40 . 8 ASP HA H 4.754 0.02 1 41 . 8 ASP HB3 H 2.770 0.02 2 42 . 8 ASP HB2 H 2.951 0.02 2 43 . 9 LEU H H 7.981 0.02 1 44 . 9 LEU HA H 4.313 0.02 1 45 . 9 LEU HB3 H 1.704 0.02 2 46 . 9 LEU HB2 H 1.624 0.02 2 47 . 9 LEU HD1 H 0.950 0.02 2 48 . 9 LEU HD2 H 0.897 0.02 2 49 . 10 SER H H 8.125 0.02 1 50 . 10 SER HA H 4.404 0.02 1 51 . 10 SER HB3 H 3.858 0.02 2 52 . 11 HIS H H 8.211 0.02 1 53 . 11 HIS HA H 4.724 0.02 1 54 . 11 HIS HB3 H 3.321 0.02 2 55 . 11 HIS HB2 H 3.216 0.02 2 56 . 11 HIS HD2 H 8.696 0.02 3 57 . 11 HIS HE2 H 7.397 0.02 3 58 . 12 GLY H H 8.300 0.02 1 59 . 12 GLY HA3 H 4.007 0.02 2 60 . 13 SER H H 8.147 0.02 1 61 . 13 SER HA H 4.439 0.02 1 62 . 13 SER HB3 H 3.908 0.02 2 63 . 14 ALA H H 8.100 0.02 1 64 . 14 ALA HA H 4.325 0.02 1 65 . 14 ALA HB H 1.416 0.02 1 66 . 15 GLN H H 8.053 0.02 1 67 . 15 GLN HA H 4.426 0.02 1 68 . 15 GLN HB3 H 2.113 0.02 2 69 . 15 GLN HB2 H 2.020 0.02 2 70 . 15 GLN HG2 H 2.358 0.02 2 71 . 15 GLN HE21 H 6.693 0.02 2 72 . 15 GLN HE22 H 7.379 0.02 2 73 . 16 VAL H H 7.919 0.02 1 74 . 16 VAL HA H 4.019 0.02 1 75 . 16 VAL HB H 2.150 0.02 1 76 . 16 VAL HG1 H 0.965 0.02 2 77 . 17 LYS H H 7.992 0.02 1 78 . 17 LYS HA H 4.231 0.02 1 79 . 17 LYS HB3 H 1.872 0.02 2 80 . 17 LYS HB2 H 1.802 0.02 2 81 . 17 LYS HG2 H 1.459 0.02 2 82 . 17 LYS HD2 H 1.708 0.02 2 83 . 17 LYS HE2 H 3.008 0.02 2 84 . 17 LYS HZ H 7.259 0.02 1 85 . 18 GLY H H 8.176 0.02 1 86 . 18 GLY HA3 H 3.860 0.02 2 87 . 18 GLY HA2 H 3.938 0.02 2 88 . 19 HIS H H 8.153 0.02 1 89 . 19 HIS HA H 4.660 0.02 1 90 . 19 HIS HB3 H 3.256 0.02 2 91 . 19 HIS HB2 H 3.340 0.02 2 92 . 19 HIS HD2 H 8.643 0.02 3 93 . 19 HIS HE2 H 7.356 0.02 3 94 . 20 GLY H H 8.300 0.02 1 95 . 20 GLY HA2 H 4.007 0.02 2 96 . 21 ALA H H 8.100 0.02 1 97 . 21 ALA HA H 4.325 0.02 1 98 . 21 ALA HB H 1.416 0.02 1 99 . 22 LYS H H 8.018 0.02 1 100 . 22 LYS HA H 4.244 0.02 1 101 . 22 LYS HB3 H 1.872 0.02 2 102 . 22 LYS HB2 H 1.802 0.02 2 103 . 22 LYS HG2 H 1.500 0.02 2 104 . 22 LYS HD2 H 1.708 0.02 2 105 . 22 LYS HE2 H 3.019 0.02 2 106 . 22 LYS HZ H 7.412 0.02 1 107 . 23 NH2 HN1 H 7.287 0.02 2 108 . 23 NH2 HN2 H 6.910 0.02 2 stop_ save_