data_940 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Comparative Structural Analysis of the Calcium Free and Bound States of the Calcium Regulatory Protein Calbindin D9K ; _BMRB_accession_number 940 _BMRB_flat_file_name bmr940.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _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 Skelton Nicholas J. . 2 Kordel Johan . . 3 Forsen Sture . . 4 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 25 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Skelton, Nicholas J., Kordel, Johan, Forsen, Sture, Chazin, Walter J., "Comparative Structural Analysis of the Calcium Free and Bound States of the Calcium Regulatory Protein Calbindin D9K," J. Mol. Biol. 213, 593-598 (1990). ; _Citation_title ; Comparative Structural Analysis of the Calcium Free and Bound States of the Calcium Regulatory Protein Calbindin D9K ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Skelton Nicholas J. . 2 Kordel Johan . . 3 Forsen Sture . . 4 Chazin Walter J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 213 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 593 _Page_last 598 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_calbindin _Saveframe_category molecular_system _Mol_system_name calbindin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calbindin $calbindin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_calbindin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calbindin _Name_variant 'calbindin D9k P43G, with leading methionine' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MKSPEELKGIFEKYAAKEGD PNQLSKEELKLLLQTEFPSL LKGGSTLDELFEELDKNGDG EVSFEEFQVLVKKISQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 SER 4 PRO 5 GLU 6 GLU 7 LEU 8 LYS 9 GLY 10 ILE 11 PHE 12 GLU 13 LYS 14 TYR 15 ALA 16 ALA 17 LYS 18 GLU 19 GLY 20 ASP 21 PRO 22 ASN 23 GLN 24 LEU 25 SER 26 LYS 27 GLU 28 GLU 29 LEU 30 LYS 31 LEU 32 LEU 33 LEU 34 GLN 35 THR 36 GLU 37 PHE 38 PRO 39 SER 40 LEU 41 LEU 42 LYS 43 GLY 44 GLY 45 SER 46 THR 47 LEU 48 ASP 49 GLU 50 LEU 51 PHE 52 GLU 53 GLU 54 LEU 55 ASP 56 LYS 57 ASN 58 GLY 59 ASP 60 GLY 61 GLU 62 VAL 63 SER 64 PHE 65 GLU 66 GLU 67 PHE 68 GLN 69 VAL 70 LEU 71 VAL 72 LYS 73 LYS 74 ILE 75 SER 76 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 15594 calbindin_in_presence_of_Yb3+ 98.68 75 98.67 98.67 7.28e-41 BMRB 16340 Calbindin_D9K 100.00 76 100.00 100.00 5.92e-43 BMRB 16758 calbindin 98.68 75 97.33 97.33 1.10e-39 BMRB 247 calbindin 100.00 76 98.68 98.68 1.00e-41 BMRB 325 calbindin 100.00 76 98.68 98.68 1.00e-41 BMRB 326 calbindin 100.00 76 100.00 100.00 5.92e-43 BMRB 327 calbindin 100.00 76 100.00 100.00 5.92e-43 BMRB 4581 calbindin_N56A 98.68 75 97.33 97.33 7.62e-40 BMRB 5207 F36G 100.00 76 97.37 97.37 2.47e-40 BMRB 6697 Calbindin_D9k 98.68 75 98.67 98.67 7.28e-41 BMRB 6699 Calbindin_D9k 98.68 75 98.67 98.67 7.28e-41 BMRB 753 calbindin 100.00 76 100.00 100.00 5.92e-43 BMRB 939 calbindin 100.00 76 100.00 100.00 5.92e-43 PDB 1B1G "Solvated Refinement Of Ca-Loaded Calbindin D9k" 98.68 75 100.00 100.00 6.59e-42 PDB 1CDN "Solution Structure Of (Cd2+)1-Calbindin D9k Reveals Details Of The Stepwise Structural Changes Along The Apo--> (Ca2+) Ii1--> (" 100.00 76 100.00 100.00 5.92e-43 PDB 1CLB "Determination Of The Solution Structure Of Apo Calbindin D9k By Nmr Spectroscopy" 100.00 76 100.00 100.00 5.92e-43 PDB 1D1O "Cooperativity In Ef-Hand Ca2+-Binding Proteins: Evidence Of Site-Site Communication From Binding-Induced Changes In Structure A" 98.68 75 97.33 97.33 7.62e-40 PDB 1HT9 "Domain Swapping Ef-Hands" 100.00 76 97.37 97.37 4.34e-41 PDB 1IG5 "Bovine Calbindin D9k Binding Mg2+" 98.68 75 98.67 98.67 1.02e-40 PDB 1IGV "Bovine Calbindin D9k Binding Mn2+" 98.68 75 98.67 98.67 1.02e-40 PDB 1KCY "Nmr Solution Structure Of Apo Calbindin D9k (F36g + P43m Mutant)" 98.68 75 97.33 97.33 2.24e-39 PDB 1KQV "Family Of Nmr Solution Structures Of Ca Ln Calbindin D9k" 98.68 79 98.67 98.67 4.42e-41 PDB 1KSM "Average Nmr Solution Structure Of Ca Ln Calbindin D9k" 98.68 79 98.67 98.67 4.42e-41 PDB 1N65 "Family Of Nmr Solution Structures Of Ca Ce Calbindin D9k In Denaturating Conditions" 98.68 75 98.67 98.67 7.28e-41 PDB 2BCA "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" 100.00 76 100.00 100.00 5.92e-43 PDB 2BCB "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" 98.68 75 100.00 100.00 6.59e-42 PDB 2MAZ "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Bovine Apo Calbindin" 98.68 75 98.67 98.67 7.28e-41 PDB 3ICB "The Refined Structure Of Vitamin D-Dependent Calcium- Binding Protein From Bovine Intestine. Molecular Details, Ion Binding, An" 98.68 75 98.67 98.67 1.02e-40 PDB 4ICB "Proline Cis-trans Isomers In Calbindin D9k Observed By X-ray Crystallography" 100.00 76 98.68 98.68 1.00e-41 GB AAA30420 "calcium-binding protein [Bos taurus]" 98.68 79 98.67 98.67 6.19e-41 GB AAA72542 "intestinal calcium binding protein (ICaBP), minor A form [synthetic construct]" 100.00 76 98.68 98.68 1.00e-41 GB AAI18481 "S100 calcium binding protein G [Bos taurus]" 98.68 79 98.67 98.67 6.19e-41 GB ADO85633 "calbindin D9K [Ovis aries]" 52.63 40 97.50 97.50 3.53e-08 PRF 0707237A:PDB=3ICB "protein,Ca binding" 98.68 75 98.67 98.67 1.02e-40 REF NP_776682 "protein S100-G [Bos taurus]" 98.68 79 98.67 98.67 6.19e-41 REF XP_004021986 "PREDICTED: protein S100-G [Ovis aries]" 98.68 79 98.67 98.67 6.19e-41 REF XP_005701114 "PREDICTED: protein S100-G [Capra hircus]" 98.68 79 98.67 98.67 6.19e-41 REF XP_005888771 "PREDICTED: protein S100-G [Bos mutus]" 98.68 79 98.67 98.67 6.19e-41 REF XP_005982038 "PREDICTED: protein S100-G [Pantholops hodgsonii]" 98.68 79 98.67 98.67 6.19e-41 SP P02633 "RecName: Full=Protein S100-G; AltName: Full=Calbindin-D9k; AltName: Full=S100 calcium-binding protein G; AltName: Full=Vitamin " 98.68 79 98.67 98.67 6.19e-41 TPG DAA12577 "TPA: protein S100-G [Bos taurus]" 98.68 79 98.67 98.67 6.19e-41 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $calbindin cow 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 $calbindin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . na temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label H2O/HDO H . . ppm 4.75 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name calbindin _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 . 15 ALA H H 8.33 . 1 2 . 15 ALA HA H 3.8 . 1 3 . 16 ALA H H 6.89 . 1 4 . 16 ALA HA H 4.3 . 1 5 . 18 GLU H H 9.71 . 1 6 . 18 GLU HA H 4.72 . 1 7 . 19 GLY H H 9 . 1 8 . 19 GLY HA2 H 3.95 . 2 9 . 19 GLY HA3 H 3.64 . 2 10 . 20 ASP H H 8.29 . 1 11 . 20 ASP HA H 4.69 . 1 12 . 23 GLN H H 7.23 . 1 13 . 23 GLN HA H 5.12 . 1 14 . 24 LEU H H 9.54 . 1 15 . 24 LEU HA H 5.48 . 1 16 . 25 SER H H 10.08 . 1 17 . 25 SER HA H 4.84 . 1 18 . 61 GLU H H 7.77 . 1 19 . 61 GLU HA H 5.13 . 1 20 . 62 VAL H H 10.33 . 1 21 . 62 VAL HA H 5.1 . 1 22 . 63 SER H H 9.55 . 1 23 . 63 SER HA H 4.88 . 1 24 . 64 PHE H H 9.6 . 1 25 . 64 PHE HA H 3.28 . 1 stop_ save_