data_2247 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformational Changes in the Metal-Binding Sites of Cardiac Troponin C Induced by Calcium Binding ; _BMRB_accession_number 2247 _BMRB_flat_file_name bmr2247.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _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 Krudy George A. . 2 Brito Rui M.M. . 3 Putkey John A. . 4 Rosevear Paul R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 18 "15N chemical shifts" 9 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Krudy, George A., Brito, Rui M.M., Putkey, John A., Rosevear, Paul R., "Conformational Changes in the Metal-Binding Sites of Cardiac Troponin C Induced by Calcium Binding," Biochemistry 31 (6), 1595-1602 (1992). ; _Citation_title ; Conformational Changes in the Metal-Binding Sites of Cardiac Troponin C Induced by Calcium Binding ; _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 Krudy George A. . 2 Brito Rui M.M. . 3 Putkey John A. . 4 Rosevear Paul R. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1595 _Page_last 1602 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_troponin_C _Saveframe_category molecular_system _Mol_system_name 'troponin C' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'troponin C' $troponin_C stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_troponin_C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'troponin C' _Name_variant cTnC3 _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXIXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXSGTVXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXDGYIDXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXDGRIDXXEFL ; loop_ _Residue_seq_code _Residue_label 1 X 2 X 3 X 4 X 5 X 6 X 7 X 8 X 9 X 10 X 11 X 12 X 13 X 14 X 15 X 16 X 17 X 18 X 19 X 20 X 21 X 22 X 23 X 24 X 25 X 26 X 27 X 28 X 29 X 30 X 31 X 32 X 33 X 34 X 35 X 36 ILE 37 X 38 X 39 X 40 X 41 X 42 X 43 X 44 X 45 X 46 X 47 X 48 X 49 X 50 X 51 X 52 X 53 X 54 X 55 X 56 X 57 X 58 X 59 X 60 X 61 X 62 X 63 X 64 X 65 X 66 X 67 X 68 X 69 SER 70 GLY 71 THR 72 VAL 73 X 74 X 75 X 76 X 77 X 78 X 79 X 80 X 81 X 82 X 83 X 84 X 85 X 86 X 87 X 88 X 89 X 90 X 91 X 92 X 93 X 94 X 95 X 96 X 97 X 98 X 99 X 100 X 101 X 102 X 103 X 104 X 105 X 106 X 107 X 108 X 109 ASP 110 GLY 111 TYR 112 ILE 113 ASP 114 X 115 X 116 X 117 X 118 X 119 X 120 X 121 X 122 X 123 X 124 X 125 X 126 X 127 X 128 X 129 X 130 X 131 X 132 X 133 X 134 X 135 X 136 X 137 X 138 X 139 X 140 X 141 X 142 X 143 X 144 X 145 ASP 146 GLY 147 ARG 148 ILE 149 ASP 150 X 151 X 152 GLU 153 PHE 154 LEU stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2005-12-09 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $troponin_C . . . . . . 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 $troponin_C '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_ ####################### # 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 313 . 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 HOD H . . ppm 4.56 . . . . . [15N]NH4Cl N . . ppm 25.2 . . . . . 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 'troponin C' _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 . 36 ILE H H 9.6 . 1 2 . 36 ILE N N 127.4 . 1 3 . 69 SER H H 8.36 . 1 4 . 69 SER N N 117.4 . 1 5 . 70 GLY H H 10.68 . 1 6 . 70 GLY N N 118.1 . 1 7 . 71 THR H H 7.79 . 1 8 . 72 VAL H H 8.51 . 1 9 . 109 ASP H H 8.4 . 1 10 . 110 GLY H H 10.26 . 1 11 . 110 GLY N N 113.2 . 1 12 . 111 TYR H H 7.95 . 1 13 . 112 ILE H H 9.87 . 1 14 . 112 ILE N N 127.8 . 1 15 . 113 ASP H H 8.82 . 1 16 . 145 ASP H H 8.49 . 1 17 . 146 GLY H H 10.26 . 1 18 . 146 GLY N N 114.6 . 1 19 . 147 ARG H H 7.69 . 1 20 . 148 ILE H H 9.2 . 1 21 . 148 ILE N N 127.6 . 1 22 . 149 ASP H H 9.21 . 1 23 . 152 GLU H H 8.73 . 1 24 . 153 PHE H H 9.13 . 1 25 . 153 PHE N N 125.5 . 1 26 . 154 LEU H H 8.1 . 1 27 . 154 LEU N N 120.1 . 1 stop_ save_