data_17123 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Comparison of the Structural and Dynamical Properties of Holo and Apo Bovine alpha-Lactalbumin by NMR Spectroscopy ; _BMRB_accession_number 17123 _BMRB_flat_file_name bmr17123.str _Entry_type new _Submission_date 2010-08-11 _Accession_date 2010-08-11 _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 Wijesinha-Bettoni Ramani . . 2 Dobson Christopher M. . 3 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count kinetic_rates 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-10 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Comparison of the Structural and Dynamical Properties of Holo and Apo Bovine alpha-Lactalbumin by NMR Spectroscopy' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11273708 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wijesinha-Bettoni Ramani . . 2 Dobson Christopher M. . 3 Redfield Christina . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 307 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 885 _Page_last 898 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'alphaL/CA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label alphaL $alphaL CA $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_alphaL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alphaL _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; EQLTKCEVFRELKDLKGYGG VSLPEWVCTTFHTSGYDTQA IVQNNDSTEYGLFQINNKIW CKDDQNPHSSNICNISCDKF LDDDLTDDIMCVKKILDKVG INYWLAHKALCSEKLDQWLC EKL ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 GLN 3 LEU 4 THR 5 LYS 6 CYS 7 GLU 8 VAL 9 PHE 10 ARG 11 GLU 12 LEU 13 LYS 14 ASP 15 LEU 16 LYS 17 GLY 18 TYR 19 GLY 20 GLY 21 VAL 22 SER 23 LEU 24 PRO 25 GLU 26 TRP 27 VAL 28 CYS 29 THR 30 THR 31 PHE 32 HIS 33 THR 34 SER 35 GLY 36 TYR 37 ASP 38 THR 39 GLN 40 ALA 41 ILE 42 VAL 43 GLN 44 ASN 45 ASN 46 ASP 47 SER 48 THR 49 GLU 50 TYR 51 GLY 52 LEU 53 PHE 54 GLN 55 ILE 56 ASN 57 ASN 58 LYS 59 ILE 60 TRP 61 CYS 62 LYS 63 ASP 64 ASP 65 GLN 66 ASN 67 PRO 68 HIS 69 SER 70 SER 71 ASN 72 ILE 73 CYS 74 ASN 75 ILE 76 SER 77 CYS 78 ASP 79 LYS 80 PHE 81 LEU 82 ASP 83 ASP 84 ASP 85 LEU 86 THR 87 ASP 88 ASP 89 ILE 90 MET 91 CYS 92 VAL 93 LYS 94 LYS 95 ILE 96 LEU 97 ASP 98 LYS 99 VAL 100 GLY 101 ILE 102 ASN 103 TYR 104 TRP 105 LEU 106 ALA 107 HIS 108 LYS 109 ALA 110 LEU 111 CYS 112 SER 113 GLU 114 LYS 115 LEU 116 ASP 117 GLN 118 TRP 119 LEU 120 CYS 121 GLU 122 LYS 123 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 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 PDB 1F6R "Crystal Structure Of Apo-Bovine Alpha-Lactalbumin" 100.00 123 100.00 100.00 1.56e-83 PDB 1F6S "Crystal Structure Of Bovine Alpha-Lactalbumin" 100.00 123 100.00 100.00 1.56e-83 PDB 1HFZ Alpha-Lactalbumin 100.00 124 99.19 100.00 5.80e-83 PDB 2G4N "Anomalous Substructure Of Alpha-Lactalbumin" 100.00 123 100.00 100.00 1.56e-83 DBJ BAB18921 "alpha lactalbumin [Bos taurus]" 100.00 142 100.00 100.00 2.66e-84 DBJ BAB18922 "alpha lactalbumin [Bos taurus]" 100.00 142 100.00 100.00 2.66e-84 DBJ BAB18923 "alpha lactalbumin [Bos taurus]" 100.00 142 100.00 100.00 2.66e-84 DBJ BAB18924 "alpha lactalbumin [Bos taurus]" 100.00 142 100.00 100.00 2.66e-84 DBJ BAB18925 "alpah lactalbumin [Bos taurus]" 100.00 142 100.00 100.00 2.66e-84 EMBL CAA29664 "alpha-lactalbumin [Bos taurus]" 100.00 142 99.19 99.19 9.65e-84 EMBL CAA44927 "alpha lactalbumin [Bos taurus]" 100.00 123 99.19 99.19 5.09e-83 GB AAA30367 "alpha-lactalbumin precursor (EC 2.4.1.22) [Bos taurus]" 100.00 142 100.00 100.00 2.66e-84 GB AAA30615 "alpha-lactalbumin precursor protein [Bos taurus]" 100.00 142 100.00 100.00 2.66e-84 GB AAF06793 "alpha-lactalbumin [Bos grunniens]" 100.00 142 99.19 100.00 1.43e-83 GB AAF06794 "alpha-lactalbumin [Bubalus bubalis]" 100.00 142 99.19 99.19 3.78e-83 GB AAF06795 "alpha-lactalbumin [Cervus elaphus xanthopygus]" 78.86 97 97.94 98.97 2.23e-61 PRF 1314171A "lactalbumin alpha" 100.00 142 100.00 100.00 2.66e-84 REF NP_001277865 "alpha-lactalbumin precursor [Bubalus bubalis]" 100.00 142 97.56 98.37 2.12e-82 REF NP_776803 "alpha-lactalbumin precursor [Bos taurus]" 100.00 142 100.00 100.00 2.66e-84 REF XP_005896427 "PREDICTED: alpha-lactalbumin [Bos mutus]" 100.00 142 100.00 100.00 2.66e-84 REF XP_010856027 "PREDICTED: alpha-lactalbumin [Bison bison bison]" 100.00 142 100.00 100.00 2.66e-84 SP P00711 "RecName: Full=Alpha-lactalbumin; AltName: Full=Lactose synthase B protein; AltName: Allergen=Bos d 4; Flags: Precursor" 100.00 142 100.00 100.00 2.66e-84 SP Q9TSN6 "RecName: Full=Alpha-lactalbumin; AltName: Full=Lactose synthase B protein; Flags: Precursor [Bubalus bubalis]" 100.00 142 98.37 98.37 1.43e-82 SP Q9TSR4 "RecName: Full=Alpha-lactalbumin; AltName: Full=Lactose synthase B protein; Flags: Precursor" 100.00 142 99.19 100.00 1.43e-83 TPG DAA29895 "TPA: alpha-lactalbumin precursor [Bos taurus]" 100.00 142 100.00 100.00 2.66e-84 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $alphaL cattle 9913 Eukaryota Metazoa Bos taurus 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 _Details $alphaL 'obtained from a vendor' . . . . . Sigma stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alphaL 1.4 mM 'natural abundance' 'sodium phosphate buffer' 15 mM 'natural abundance' EDTA 25 mM 'natural abundance' 'sodium chloride' 0.5 mM 'natural abundance' 'deuterated imidazole buffer' 100 mM 'natural abundance' $CA 2.8 mM 'natural abundance' H2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOTAL _Saveframe_category software _Name TOTAL _Version . loop_ _Vendor _Address _Electronic_address '(http:// www.shef.ac.uk/ nmr/resources.html' . . stop_ loop_ _Task 'ring current calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer 'Home Built' _Model na _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1D_1H_Real_Time_NMR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H Real Time NMR' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 7.2 . pH pressure ambient . atm stop_ save_