data_862 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Hydrogen-1 Nuclear Magnetic Resonance Investigation of Bovine Cardiac Troponin C. Comparison of Tyrosyl Assignments and Calcium-Induced Structural Changes to Those of Two Homologous Proteins, Rabbit Skeletal Troponin C and Bovine Brain Calm ; _BMRB_accession_number 862 _BMRB_flat_file_name bmr862.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-12 _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 Hincke Maxwell T. . 2 Sykes Brian D. . 3 Kay Cyril M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 12 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 2008-09-30 revision BMRB 'Updating non-standard residue' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-12 revision BMRB 'Error corrected in abrreviations given to non-polymers' 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 ; Hincke, Maxwell T., Sykes, Brian D., Kay, Cyril M., "Hydrogen-1 Nuclear Magnetic Resonance Investigation of Bovine Cardiac Troponin C. Comparison of Tyrosyl Assignments and Calcium-Induced Structural Changes to Those of Two Homologous Proteins, Rabbit Skeletal Troponin C and Bovine Brain Calm," Biochemistry 20, 3286-3294 (1981). ; _Citation_title ; Hydrogen-1 Nuclear Magnetic Resonance Investigation of Bovine Cardiac Troponin C. Comparison of Tyrosyl Assignments and Calcium-Induced Structural Changes to Those of Two Homologous Proteins, Rabbit Skeletal Troponin C and Bovine Brain Calm ; _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 Hincke Maxwell T. . 2 Sykes Brian D. . 3 Kay Cyril M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 20 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3286 _Page_last 3294 _Year 1981 _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' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; XDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRCMKDDSKGKSEEELSDL FRMFDKNADGYIDLELKIML QATGETITEDDIEELMKDGD KNNDGRIDYDEFLEFMKGVE ; loop_ _Residue_seq_code _Residue_label 1 AME 2 ASP 3 ASP 4 ILE 5 TYR 6 LYS 7 ALA 8 ALA 9 VAL 10 GLU 11 GLN 12 LEU 13 THR 14 GLU 15 GLU 16 GLN 17 LYS 18 ASN 19 GLU 20 PHE 21 LYS 22 ALA 23 ALA 24 PHE 25 ASP 26 ILE 27 PHE 28 VAL 29 LEU 30 GLY 31 ALA 32 GLU 33 ASP 34 GLY 35 CYS 36 ILE 37 SER 38 THR 39 LYS 40 GLU 41 LEU 42 GLY 43 LYS 44 VAL 45 MET 46 ARG 47 MET 48 LEU 49 GLY 50 GLN 51 ASN 52 PRO 53 THR 54 PRO 55 GLU 56 GLU 57 LEU 58 GLN 59 GLU 60 MET 61 ILE 62 ASP 63 GLU 64 VAL 65 ASP 66 GLU 67 ASP 68 GLY 69 SER 70 GLY 71 THR 72 VAL 73 ASP 74 PHE 75 ASP 76 GLU 77 PHE 78 LEU 79 VAL 80 MET 81 MET 82 VAL 83 ARG 84 CYS 85 MET 86 LYS 87 ASP 88 ASP 89 SER 90 LYS 91 GLY 92 LYS 93 SER 94 GLU 95 GLU 96 GLU 97 LEU 98 SER 99 ASP 100 LEU 101 PHE 102 ARG 103 MET 104 PHE 105 ASP 106 LYS 107 ASN 108 ALA 109 ASP 110 GLY 111 TYR 112 ILE 113 ASP 114 LEU 115 GLU 116 LEU 117 LYS 118 ILE 119 MET 120 LEU 121 GLN 122 ALA 123 THR 124 GLY 125 GLU 126 THR 127 ILE 128 THR 129 GLU 130 ASP 131 ASP 132 ILE 133 GLU 134 GLU 135 LEU 136 MET 137 LYS 138 ASP 139 GLY 140 ASP 141 LYS 142 ASN 143 ASN 144 ASP 145 GLY 146 ARG 147 ILE 148 ASP 149 TYR 150 ASP 151 GLU 152 PHE 153 LEU 154 GLU 155 PHE 156 MET 157 LYS 158 GLY 159 VAL 160 GLU 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 15385 F104W 99.38 161 97.50 98.13 1.65e-103 BMRB 15388 F153W 99.38 161 97.50 98.13 1.65e-103 BMRB 15400 F153(FTR) 99.38 161 97.50 97.50 7.12e-103 BMRB 15427 F104(FTR) 99.38 161 97.50 98.13 1.65e-103 BMRB 16190 cNTnC 54.66 89 97.73 97.73 8.57e-52 BMRB 16752 TnC 99.38 161 98.75 99.38 1.18e-105 BMRB 17103 cNTnC 54.66 89 100.00 100.00 3.92e-54 BMRB 19789 cNTnC 54.66 89 100.00 100.00 3.92e-54 BMRB 25034 cChimera 54.66 141 98.86 98.86 2.45e-53 BMRB 25035 cChimeraX 54.66 141 98.86 98.86 1.89e-53 BMRB 25120 cTnC 99.38 161 98.13 98.13 5.41e-104 BMRB 4822 TnC 55.90 93 100.00 100.00 1.18e-55 BMRB 4823 TnC 55.90 93 100.00 100.00 1.18e-55 BMRB 846 troponin_C 99.38 161 100.00 100.00 3.92e-106 BMRB 934 troponin_C 99.38 161 100.00 100.00 3.92e-106 PDB 1AJ4 "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 1 Structure" 98.76 161 97.48 98.11 3.50e-103 PDB 1AP4 "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Saturated State, Nmr, 40 Structures" 54.66 89 100.00 100.00 3.92e-54 PDB 1DTL "Crystal Structure Of Calcium-Saturated (3ca2+) Cardiac Troponin C Complexed With The Calcium Sensitizer Bepridil At 2.15 A Reso" 99.38 161 98.13 98.13 4.69e-104 PDB 1FI5 "Nmr Structure Of The C Terminal Domain Of Cardiac Troponin C Bound To The N Terminal Domain Of Cardiac Troponin I." 50.31 81 97.53 98.77 1.04e-45 PDB 1J1D "Crystal Structure Of The 46kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 99.38 161 98.13 98.13 4.69e-104 PDB 1J1E "Crystal Structure Of The 52kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 99.38 161 98.13 98.13 4.69e-104 PDB 1LA0 "Solution Structure Of Calcium Saturated Cardiac Troponin C In The Troponin C-Troponin I Complex" 99.38 161 98.75 99.38 1.18e-105 PDB 1LXF "Structure Of The Regulatory N-Domain Of Human Cardiac Troponin C In Complex With Human Cardiac Troponin-I(147- 163) And Bepridi" 54.66 89 100.00 100.00 3.92e-54 PDB 1MXL "Structure Of Cardiac Troponin C-troponin I Complex" 54.66 89 100.00 100.00 3.92e-54 PDB 1SBJ "Nmr Structure Of The Mg2+-Loaded C Terminal Domain Of Cardiac Troponin C Bound To The N Terminal Domain Of Cardiac Troponin I" 50.31 81 97.53 98.77 1.04e-45 PDB 1SCV "Nmr Structure Of The C Terminal Domain Of Cardiac Troponin C Bound To The N Terminal Domain Of Cardiac Troponin I" 50.31 81 97.53 98.77 1.04e-45 PDB 1SPY "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Free State, Nmr, 40 Structures" 54.66 89 100.00 100.00 3.92e-54 PDB 1WRK "Crystal Structure Of The N-Terminal Domain Of Human Cardiac Troponin C In Complex With Trifluoperazine (Orthrombic Crystal Form" 54.04 88 97.70 97.70 4.84e-51 PDB 1WRL "Crystal Structure Of The N-Terminal Domain Of Human Cardiac Troponin C In Complex With Trifluoperazine (Monoclinic Crystal Form" 54.04 88 97.70 97.70 4.84e-51 PDB 2CTN "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 30 Structures" 54.04 89 97.70 97.70 2.60e-51 PDB 2JT0 "Solution Structure Of F104w Cardiac Troponin C" 99.38 161 97.50 98.13 1.65e-103 PDB 2JT3 "Solution Structure Of F153w Cardiac Troponin C" 99.38 161 97.50 98.13 1.65e-103 PDB 2JT8 "Solution Structure Of The F153-To-5-Flurotryptophan Mutant Of Human Cardiac Troponin C" 99.38 161 97.50 97.50 7.12e-103 PDB 2JTZ "Solution Structure And Chemical Shift Assignments Of The F104-To-5-Flurotryptophan Mutant Of Cardiac Troponin C" 99.38 161 97.50 97.50 7.12e-103 PDB 2JXL "Solution Structure Of Cardiac N-Domain Troponin C Mutant F77w-V82a" 54.66 89 97.73 98.86 3.48e-53 PDB 2KFX "Structure Of The N-Terminal Domain Of Human Cardiac Troponin C Bound To Calcium Ion And To The Inhibitor W7" 54.66 89 97.73 97.73 8.57e-52 PDB 2KGB "Nmr Solution Of The Regulatory Domain Cardiac F77w-Troponin C In Complex With The Cardiac Troponin I 144-163 Switch Peptide" 54.66 89 98.86 100.00 8.58e-54 PDB 2KRD "Solution Structure Of The Regulatory Domain Of Human Cardiac C In Complex With The Switch Region Of Cardiac Troponin I A" 54.66 89 100.00 100.00 3.92e-54 PDB 2L1R "The Structure Of The Calcium-Sensitizer, Dfbp-O, In Complex With The N-Domain Of Troponin C And The Switch Region Of Troponin I" 54.66 89 100.00 100.00 3.92e-54 PDB 2MKP "N Domain Of Cardiac Troponin C Bound To The Switch Fragment Of Fast Skeletal Troponin I At Ph 6" 54.66 89 100.00 100.00 3.92e-54 PDB 3SD6 "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium At 1.4 Resolution." 54.66 89 100.00 100.00 3.92e-54 PDB 3SWB "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium At 1.7 A Resolution" 54.66 89 100.00 100.00 3.92e-54 PDB 4GJE "Crystal Structure Of The Refolded Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium" 54.66 89 100.00 100.00 3.92e-54 DBJ BAA02369 "cardiac troponin C [Gallus gallus]" 99.38 161 98.75 99.38 1.18e-105 DBJ BAG36483 "unnamed protein product [Homo sapiens]" 99.38 161 99.38 99.38 5.32e-106 EMBL CAA30736 "unnamed protein product [Homo sapiens]" 99.38 161 99.38 99.38 5.32e-106 EMBL CAG46663 "TNNC1 [Homo sapiens]" 99.38 161 99.38 99.38 5.32e-106 EMBL CAG46683 "TNNC1 [Homo sapiens]" 99.38 161 99.38 99.38 5.32e-106 GB AAA36772 "slow twitch skeletal/cardiac muscle troponin C [Homo sapiens]" 99.38 161 99.38 99.38 5.32e-106 GB AAA37492 "slow/cardiac troponin C, partial [Mus musculus]" 99.38 161 98.75 99.38 1.85e-105 GB AAA37493 "slow/cardiac troponin C [Mus musculus]" 99.38 161 98.75 99.38 1.85e-105 GB AAA48654 "slow muscle troponin C [Gallus gallus]" 99.38 161 98.75 99.38 1.18e-105 GB AAB91994 "cardiac ventricular troponin C [Homo sapiens]" 99.38 160 98.75 98.75 1.24e-103 PIR TPHUCC "troponin C, cardiac and slow skeletal muscle - human" 99.38 161 99.38 99.38 5.32e-106 PRF 1510257A "troponin C" 99.38 161 99.38 99.38 4.42e-106 PRF 750650A "troponin c,cardiac" 99.38 161 99.38 99.38 4.42e-106 REF NP_001029277 "troponin C, slow skeletal and cardiac muscles [Rattus norvegicus]" 99.38 161 98.75 99.38 1.85e-105 REF NP_001029523 "troponin C, slow skeletal and cardiac muscles [Bos taurus]" 99.38 161 99.38 99.38 4.42e-106 REF NP_001123715 "troponin C, slow skeletal and cardiac muscles [Sus scrofa]" 99.38 161 99.38 99.38 4.42e-106 REF NP_001272501 "troponin C type 1 (slow) [Capra hircus]" 99.38 161 99.38 99.38 4.42e-106 REF NP_003271 "troponin C, slow skeletal and cardiac muscles [Homo sapiens]" 99.38 161 99.38 99.38 5.32e-106 SP P02591 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C [Oryctolagus cuniculus]" 99.38 161 99.38 99.38 5.32e-106 SP P09860 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C [Gallus gallus]" 99.38 161 98.75 99.38 1.18e-105 SP P19123 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C [Mus musculus]" 99.38 161 98.75 99.38 1.85e-105 SP P63315 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C [Bos taurus]" 99.38 161 99.38 99.38 4.42e-106 SP P63316 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C [Homo sapiens]" 99.38 161 99.38 99.38 5.32e-106 TPG DAA16908 "TPA: troponin C, slow skeletal and cardiac muscles [Bos taurus]" 99.38 161 99.38 99.38 4.42e-106 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_AME _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common N-ACETYLMETHIONINE _BMRB_code AME _PDB_code AME _Standard_residue_derivative . _Molecular_mass 191.248 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CT2 CT2 C . 0 . ? CT1 CT1 C . 0 . ? OT OT O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? SD SD S . 0 . ? CE CE C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? N N N . 0 . ? CA CA C . 0 . ? HT23 HT23 H . 0 . ? HT22 HT22 H . 0 . ? HT21 HT21 H . 0 . ? HB2 HB2 H . 0 . ? HB1 HB1 H . 0 . ? HG2 HG2 H . 0 . ? HG1 HG1 H . 0 . ? HE3 HE3 H . 0 . ? HE2 HE2 H . 0 . ? HE1 HE1 H . 0 . ? HO HO H . 0 . ? HN1 HN1 H . 0 . ? HA HA 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 CT2 CT1 ? ? SING CT2 HT23 ? ? SING CT2 HT22 ? ? SING CT2 HT21 ? ? DOUB CT1 OT ? ? SING CT1 N ? ? SING CB CG ? ? SING CB CA ? ? SING CB HB2 ? ? SING CB HB1 ? ? SING CG SD ? ? SING CG HG2 ? ? SING CG HG1 ? ? SING SD CE ? ? SING CE HE3 ? ? SING CE HE2 ? ? SING CE HE1 ? ? DOUB C O ? ? SING C OXT ? ? SING C CA ? ? SING OXT HO ? ? SING N CA ? ? SING N HN1 ? ? SING CA HA ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $troponin_C cow 9909 Eukaryota Metazoa Bos primigenius heart 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_ ############################# # 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 6.8 . na temperature 301 . 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 DSS H . CH3 ppm 0 . . . . . $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 '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 . 5 TYR HD1 H 6.72 . 1 2 . 5 TYR HD2 H 6.72 . 1 3 . 5 TYR HE1 H 6.83 . 1 4 . 5 TYR HE2 H 6.83 . 1 5 . 111 TYR HD1 H 7.06 . 1 6 . 111 TYR HD2 H 7.06 . 1 7 . 111 TYR HE1 H 6.79 . 1 8 . 111 TYR HE2 H 6.79 . 1 9 . 149 TYR HD1 H 6.39 . 1 10 . 149 TYR HD2 H 6.39 . 1 11 . 149 TYR HE1 H 6.6 . 1 12 . 149 TYR HE2 H 6.6 . 1 stop_ save_