data_17102 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR measurement of the off rate from the first calcium-binding site of the synaptotagmin I C2A domain ; _BMRB_accession_number 17102 _BMRB_flat_file_name bmr17102.str _Entry_type new _Submission_date 2010-08-02 _Accession_date 2010-08-02 _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 Millet Oscar . . 2 Bernado Pau . . 3 Garcia Jesus . . 4 Rizo Josep . . 5 Pons Miquel . . 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 'NMR measurement of the off rate from the first calcium-binding site of the synaptotagmin I C2A domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11959110 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Millet Oscar . . 2 Bernado Pau . . 3 Garcia Jesus . . 4 Rizo Josep . . 5 Pons Miquel . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS Letters' _Journal_volume 516 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 96 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C2A/CA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label C2A $C2A 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_C2A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C2A _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; GSPGIGGGGGGILDSMVEKL GKLQYSLDYDFQNNQLLVGI IQAAELPALDMGGTSDPYVK VFLLPDKKKKFETKVHRKTL NPVFNEQFTFKVPYSELGGK TLVMAVYDFNRFSKHDIIGE FKVPMNTVDFGHVTEEWRDL QSA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PRO 4 GLY 5 ILE 6 GLY 7 GLY 8 GLY 9 GLY 10 GLY 11 GLY 12 ILE 13 LEU 14 ASP 15 SER 16 MET 17 VAL 18 GLU 19 LYS 20 LEU 21 GLY 22 LYS 23 LEU 24 GLN 25 TYR 26 SER 27 LEU 28 ASP 29 TYR 30 ASP 31 PHE 32 GLN 33 ASN 34 ASN 35 GLN 36 LEU 37 LEU 38 VAL 39 GLY 40 ILE 41 ILE 42 GLN 43 ALA 44 ALA 45 GLU 46 LEU 47 PRO 48 ALA 49 LEU 50 ASP 51 MET 52 GLY 53 GLY 54 THR 55 SER 56 ASP 57 PRO 58 TYR 59 VAL 60 LYS 61 VAL 62 PHE 63 LEU 64 LEU 65 PRO 66 ASP 67 LYS 68 LYS 69 LYS 70 LYS 71 PHE 72 GLU 73 THR 74 LYS 75 VAL 76 HIS 77 ARG 78 LYS 79 THR 80 LEU 81 ASN 82 PRO 83 VAL 84 PHE 85 ASN 86 GLU 87 GLN 88 PHE 89 THR 90 PHE 91 LYS 92 VAL 93 PRO 94 TYR 95 SER 96 GLU 97 LEU 98 GLY 99 GLY 100 LYS 101 THR 102 LEU 103 VAL 104 MET 105 ALA 106 VAL 107 TYR 108 ASP 109 PHE 110 ASN 111 ARG 112 PHE 113 SER 114 LYS 115 HIS 116 ASP 117 ILE 118 ILE 119 GLY 120 GLU 121 PHE 122 LYS 123 VAL 124 PRO 125 MET 126 ASN 127 THR 128 VAL 129 ASP 130 PHE 131 GLY 132 HIS 133 VAL 134 THR 135 GLU 136 GLU 137 TRP 138 ARG 139 ASP 140 LEU 141 GLN 142 SER 143 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 15785 C2A 88.11 128 99.21 100.00 1.29e-85 BMRB 15952 "C2A domain" 88.11 128 99.21 100.00 1.29e-85 BMRB 4039 "synaptotagmin I C2A" 88.11 128 99.21 100.00 1.29e-85 BMRB 4041 "synaptotagmin I C2A" 88.11 128 99.21 100.00 1.29e-85 BMRB 4166 "C2A domain of synaptotagmin I" 88.11 128 98.41 100.00 5.01e-85 BMRB 4167 "C2A domain of synaptotagmin I" 88.11 128 98.41 100.00 5.01e-85 PDB 1BYN "Solution Structure Of The Calcium-Bound First C2-Domain Of Synaptotagmin I" 88.11 128 99.21 100.00 1.29e-85 PDB 2K45 "C2a Domain Of Synaptototagmin I Solution Structure In The Fgf-1-C2a Binary Complex: Key Component In The Fibroblast Growthfacto" 88.11 128 99.21 100.00 1.29e-85 PDB 2K4A "Fgf-1-C2a Binary Complex Structure: A Key Component In The Fibroblast Growthfactor Non-Classical Pathway" 88.11 128 99.21 100.00 1.29e-85 PDB 2K8M "S100a13-C2a Binary Complex Structure" 88.11 128 99.21 100.00 1.29e-85 PDB 2KI6 "The Fgf1-S100a13-C2a Hetero-Hexameric Complex Structure: A C In The Non-Classical Pathway For Fgf1 Secretion" 88.11 128 99.21 100.00 1.29e-85 PDB 3F00 "Crystal Structure Of Synaptotagmin I C2a Domain With Cu(Ii)" 100.00 143 98.60 99.30 6.92e-97 PDB 3F01 "Crystal Structure Of Synaptotagmin I C2a Domain With Cu(Ii)" 100.00 143 99.30 100.00 5.31e-98 PDB 3F04 "Crystal Structure Of Synaptotagmin I C2a Domain" 100.00 143 99.30 100.00 5.31e-98 PDB 3F05 "Crystal Structure Of Synaptotagmin I C2a Domain With Mn(Ii)" 100.00 143 99.30 100.00 5.31e-98 GB AAK15077 "synaptotagmin I variant b [Bos taurus]" 88.11 279 99.21 100.00 8.14e-85 GB ELW70522 "Synaptotagmin-1 [Tupaia chinensis]" 88.11 395 99.21 100.00 3.24e-83 GB EPY85163 "synaptotagmin-1 [Camelus ferus]" 88.11 277 99.21 100.00 1.02e-84 GB KFO26677 "Synaptotagmin-1 [Fukomys damarensis]" 88.11 338 99.21 100.00 4.87e-84 GB KFP32561 "Synaptotagmin-1, partial [Colius striatus]" 53.15 217 97.37 100.00 6.48e-44 REF XP_005976391 "PREDICTED: synaptotagmin-1-like [Pantholops hodgsonii]" 88.11 279 99.21 100.00 5.69e-85 REF XP_010164835 "PREDICTED: synaptotagmin-1-like, partial [Caprimulgus carolinensis]" 52.45 179 97.33 100.00 1.58e-43 REF XP_010202276 "PREDICTED: synaptotagmin-1, partial [Colius striatus]" 52.45 216 97.33 100.00 3.00e-43 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 $C2A Human 9606 Eukaryota Metazoa Homo sapiens 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 $C2A 'purified from the natural source' . . . . . 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 $C2A 0.93 mM [U-15N] $CA 0.198 mM 'natural abundance' EDTA 0.198 mM 'natural abundance' Tris 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CurveFit_program _Saveframe_category software _Name CurveFit_program _Version . loop_ _Vendor _Address _Electronic_address 'GraphPad Software, Inc.' . . stop_ loop_ _Task 'relaxation rates and their errors' stop_ _Details . save_ save_Microcal_Origin _Saveframe_category software _Name Microcal_Origin _Version . loop_ _Vendor _Address _Electronic_address '(Microcal Software)' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Mathematica _Saveframe_category software _Name Mathematica _Version . loop_ _Vendor _Address _Electronic_address '(Wolfram Research)' . . stop_ loop_ _Task 'data 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 Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $sample_1 save_ save_RC-CPMG_2 _Saveframe_category NMR_applied_experiment _Experiment_name RC-CPMG _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 298 . K pH 7.4 . pH pressure 1 . atm stop_ save_