data_1553 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of a Polypeptide Dimer Comprising the Fourth Ca+2-Binding Site of Troponin C by Nuclear Magnetic Resonance Spectroscopy ; _BMRB_accession_number 1553 _BMRB_flat_file_name bmr1553.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 Kay Lewis E. . 2 Forman-Kay Julie D. . 3 McCubbin William D. . 4 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" 221 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 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 ; Kay, Lewis E., Forman-Kay, Julie D., McCubbin, William D., Kay, Cyril M., "Solution Structure of a Polypeptide Dimer Comprising the Fourth Ca+2-Binding Site of Troponin C by Nuclear Magnetic Resonance Spectroscopy," Biochemistry 30, 4323-4333 (1991). ; _Citation_title ; Solution Structure of a Polypeptide Dimer Comprising the Fourth Ca+2-Binding Site of Troponin C by Nuclear Magnetic Resonance Spectroscopy ; _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 Kay Lewis E. . 2 Forman-Kay Julie D. . 3 McCubbin William D. . 4 Kay Cyril M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 30 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4323 _Page_last 4333 _Year 1991 _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 'residues 121-159, fourth Ca2+ binding site TH2' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 39 _Mol_residue_sequence ; ASGEHVTDEEIESLMKDGDK NNDGRIDFDEFLKMMEGVQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 ALA 2 1 SER 3 2 GLY 4 3 GLU 5 4 HIS 6 5 VAL 7 6 THR 8 7 ASP 9 8 GLU 10 9 GLU 11 10 ILE 12 11 GLU 13 12 SER 14 13 LEU 15 14 MET 16 15 LYS 17 16 ASP 18 17 GLY 19 18 ASP 20 19 LYS 21 20 ASN 22 21 ASN 23 22 ASP 24 23 GLY 25 24 ARG 26 25 ILE 27 26 ASP 28 27 PHE 29 28 ASP 30 29 GLU 31 30 PHE 32 31 LEU 33 32 LYS 34 33 MET 35 34 MET 36 35 GLU 37 36 GLY 38 37 VAL 39 38 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 1A2X "Complex Of Troponin C With A 47 Residue (1-47) Fragment Of Troponin I" 100.00 159 100.00 100.00 4.64e-17 PDB 1TCF "Crystal Structure Of Calcium-Saturated Rabbit Skeletal Troponin C" 100.00 159 100.00 100.00 4.45e-17 PDB 1TN4 "Four Calcium Tnc" 100.00 159 100.00 100.00 4.45e-17 PDB 2TN4 "Four Calcium Tnc" 100.00 159 100.00 100.00 4.45e-17 DBJ BAE21718 "unnamed protein product [Mus musculus]" 100.00 160 97.44 100.00 2.27e-16 DBJ BAF84012 "unnamed protein product [Homo sapiens]" 100.00 160 100.00 100.00 5.30e-17 EMBL CAA30737 "unnamed protein product [Homo sapiens]" 100.00 160 100.00 100.00 5.30e-17 EMBL CAA68729 "unnamed protein product [Oryctolagus cuniculus]" 100.00 160 100.00 100.00 4.98e-17 EMBL CAG46662 "TNNC2 [Homo sapiens]" 100.00 160 100.00 100.00 5.30e-17 EMBL CAG46682 "TNNC2 [Homo sapiens]" 100.00 160 100.00 100.00 5.30e-17 GB AAA31481 "troponin C [Oryctolagus cuniculus]" 100.00 160 100.00 100.00 4.98e-17 GB AAA37642 "fast skeletal muscle troponin C [Mus musculus domesticus]" 100.00 160 97.44 100.00 1.98e-16 GB AAA61197 "fast skeletal muscle troponin C [Homo sapiens]" 100.00 160 100.00 100.00 5.30e-17 GB AAA91854 "troponin C [Homo sapiens]" 100.00 160 100.00 100.00 5.76e-17 GB AAH05323 "Troponin C type 2 (fast) [Homo sapiens]" 100.00 160 100.00 100.00 5.30e-17 PRF 0408496A "troponin C" 100.00 159 100.00 100.00 4.64e-17 PRF 731112A "troponin C" 100.00 158 97.44 100.00 2.74e-16 REF NP_001032428 "troponin C, skeletal muscle [Rattus norvegicus]" 100.00 160 100.00 100.00 4.98e-17 REF NP_001069841 "troponin C, skeletal muscle [Bos taurus]" 100.00 161 97.44 100.00 1.17e-16 REF NP_001076114 "troponin C, skeletal muscle [Oryctolagus cuniculus]" 100.00 160 100.00 100.00 4.98e-17 REF NP_001106292 "troponin C type 2 (fast) [Ovis aries]" 100.00 160 97.44 100.00 1.15e-16 REF NP_001253479 "troponin C, skeletal muscle [Macaca mulatta]" 100.00 160 100.00 100.00 5.30e-17 SP P02585 "RecName: Full=Troponin C, skeletal muscle" 100.00 160 100.00 100.00 5.30e-17 SP P02586 "RecName: Full=Troponin C, skeletal muscle" 100.00 160 100.00 100.00 4.98e-17 SP P02587 "RecName: Full=Troponin C, skeletal muscle" 100.00 159 97.44 100.00 1.18e-16 SP P20801 "RecName: Full=Troponin C, skeletal muscle; AltName: Full=STNC" 100.00 160 97.44 100.00 1.98e-16 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Tissue $troponin_C 'domestic rabbit' 9986 Eukaryota Metazoa Oryctolagus cuniculus generic 'skeletal muscle' 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 . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'troponin C' . mM . stop_ 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 309 . 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 . . 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 2 3 GLY H H 8.5 . 1 2 2 3 GLY HA2 H 3.99 . 1 3 2 3 GLY HA3 H 3.99 . 1 4 3 4 GLU H H 8.15 . 1 5 3 4 GLU HA H 4.26 . 1 6 3 4 GLU HB2 H 1.87 . 2 7 3 4 GLU HB3 H 1.94 . 2 8 3 4 GLU HG2 H 2.17 . 1 9 3 4 GLU HG3 H 2.17 . 1 10 4 5 HIS H H 8.44 . 1 11 4 5 HIS HA H 4.78 . 1 12 4 5 HIS HB2 H 3.25 . 2 13 4 5 HIS HB3 H 3.13 . 2 14 4 5 HIS HD2 H 7.25 . 1 15 4 5 HIS HE1 H 8.46 . 1 16 5 6 VAL H H 8.23 . 1 17 5 6 VAL HA H 4.26 . 1 18 5 6 VAL HB H 2.06 . 1 19 5 6 VAL HG1 H .92 . 1 20 5 6 VAL HG2 H .92 . 1 21 6 7 THR H H 8.31 . 1 22 6 7 THR HA H 4.47 . 1 23 6 7 THR HB H 4.47 . 1 24 6 7 THR HG2 H 1.25 . 1 25 7 8 ASP H H 8.53 . 1 26 7 8 ASP HA H 4.48 . 1 27 7 8 ASP HB2 H 2.67 . 2 28 7 8 ASP HB3 H 2.74 . 2 29 8 9 GLU H H 8.5 . 1 30 8 9 GLU HA H 4.14 . 1 31 8 9 GLU HB2 H 2.02 . 1 32 8 9 GLU HB3 H 2.02 . 1 33 8 9 GLU HG2 H 2.33 . 1 34 8 9 GLU HG3 H 2.33 . 1 35 9 10 GLU H H 8.11 . 1 36 9 10 GLU HA H 4.15 . 1 37 9 10 GLU HB2 H 2.02 . 1 38 9 10 GLU HB3 H 2.02 . 1 39 9 10 GLU HG2 H 2.23 . 2 40 9 10 GLU HG3 H 2.32 . 2 41 10 11 ILE H H 8 . 1 42 10 11 ILE HA H 3.82 . 1 43 10 11 ILE HB H 2 . 1 44 10 11 ILE HG12 H 1.2 . 2 45 10 11 ILE HG13 H 1.57 . 2 46 10 11 ILE HG2 H .91 . 1 47 10 11 ILE HD1 H .79 . 1 48 11 12 GLU H H 8.29 . 1 49 11 12 GLU HA H 4 . 1 50 11 12 GLU HB2 H 2.09 . 1 51 11 12 GLU HB3 H 2.09 . 1 52 11 12 GLU HG2 H 2.23 . 2 53 11 12 GLU HG3 H 2.35 . 2 54 12 13 SER H H 7.93 . 1 55 12 13 SER HA H 4.23 . 1 56 12 13 SER HB2 H 3.95 . 2 57 12 13 SER HB3 H 4 . 2 58 13 14 LEU H H 7.91 . 1 59 13 14 LEU HA H 4.16 . 1 60 13 14 LEU HB2 H 1.66 . 1 61 13 14 LEU HB3 H 1.87 . 1 62 13 14 LEU HG H 1.78 . 1 63 13 14 LEU HD1 H .9 . 1 64 13 14 LEU HD2 H .9 . 1 65 14 15 MET H H 8.12 . 1 66 14 15 MET HA H 4.1 . 1 67 14 15 MET HB2 H 2.08 . 1 68 14 15 MET HB3 H 2.08 . 1 69 14 15 MET HG2 H 2.46 . 2 70 14 15 MET HG3 H 2.6 . 2 71 14 15 MET HE H 1.99 . 1 72 15 16 LYS H H 7.85 . 1 73 15 16 LYS HA H 4.11 . 1 74 15 16 LYS HB2 H 1.89 . 1 75 15 16 LYS HB3 H 1.89 . 1 76 15 16 LYS HG2 H 1.5 . 2 77 15 16 LYS HG3 H 1.58 . 2 78 15 16 LYS HD2 H 1.69 . 1 79 15 16 LYS HD3 H 1.69 . 1 80 15 16 LYS HE2 H 2.99 . 1 81 15 16 LYS HE3 H 2.99 . 1 82 16 17 ASP H H 7.93 . 1 83 16 17 ASP HA H 4.56 . 1 84 16 17 ASP HB2 H 2.67 . 1 85 16 17 ASP HB3 H 2.67 . 1 86 17 18 GLY H H 8.16 . 1 87 17 18 GLY HA2 H 3.79 . 2 88 17 18 GLY HA3 H 4.1 . 2 89 18 19 ASP H H 7.74 . 1 90 18 19 ASP HA H 4.71 . 1 91 18 19 ASP HB2 H 2.43 . 1 92 18 19 ASP HB3 H 3.02 . 1 93 19 20 LYS H H 7.86 . 1 94 19 20 LYS HA H 4.15 . 1 95 19 20 LYS HB2 H 1.9 . 2 96 19 20 LYS HB3 H 1.94 . 2 97 19 20 LYS HG2 H 1.51 . 2 98 19 20 LYS HG3 H 1.59 . 2 99 19 20 LYS HD2 H 1.69 . 1 100 19 20 LYS HD3 H 1.69 . 1 101 19 20 LYS HE2 H 3.03 . 1 102 19 20 LYS HE3 H 3.03 . 1 103 20 21 ASN H H 7.94 . 1 104 20 21 ASN HA H 4.8 . 1 105 20 21 ASN HB2 H 3.27 . 1 106 20 21 ASN HB3 H 2.84 . 1 107 20 21 ASN HD21 H 6.7 . 2 108 20 21 ASN HD22 H 7.82 . 2 109 21 22 ASN H H 7.75 . 1 110 21 22 ASN HA H 4.43 . 1 111 21 22 ASN HB2 H 2.65 . 2 112 21 22 ASN HB3 H 3.05 . 2 113 21 22 ASN HD21 H 6.71 . 2 114 21 22 ASN HD22 H 7.48 . 2 115 22 23 ASP H H 8.38 . 1 116 22 23 ASP HA H 4.71 . 1 117 22 23 ASP HB2 H 3.06 . 1 118 22 23 ASP HB3 H 2.4 . 1 119 23 24 GLY H H 10.05 . 1 120 23 24 GLY HA2 H 3.53 . 2 121 23 24 GLY HA3 H 4.1 . 2 122 24 25 ARG H H 7.94 . 1 123 24 25 ARG HA H 4.75 . 1 124 24 25 ARG HB2 H 1.67 . 1 125 24 25 ARG HB3 H 1.67 . 1 126 24 25 ARG HG2 H 1.41 . 2 127 24 25 ARG HG3 H 1.48 . 2 128 24 25 ARG HD2 H 3.1 . 1 129 24 25 ARG HD3 H 3.1 . 1 130 25 26 ILE H H 9.02 . 1 131 25 26 ILE HA H 4.98 . 1 132 25 26 ILE HB H 2.05 . 1 133 25 26 ILE HG12 H 1.23 . 2 134 25 26 ILE HG13 H 1.42 . 2 135 25 26 ILE HG2 H 1.05 . 1 136 25 26 ILE HD1 H .81 . 1 137 26 27 ASP H H 8.86 . 1 138 26 27 ASP HA H 4.98 . 1 139 26 27 ASP HB2 H 3.22 . 1 140 26 27 ASP HB3 H 2.66 . 1 141 27 28 PHE H H 8.63 . 1 142 27 28 PHE HA H 3.73 . 1 143 27 28 PHE HB2 H 2.98 . 1 144 27 28 PHE HB3 H 2.91 . 1 145 27 28 PHE HD1 H 6.94 . 1 146 27 28 PHE HD2 H 6.94 . 1 147 27 28 PHE HE1 H 7.28 . 1 148 27 28 PHE HE2 H 7.28 . 1 149 27 28 PHE HZ H 7.35 . 1 150 28 29 ASP H H 7.99 . 1 151 28 29 ASP HA H 4.19 . 1 152 28 29 ASP HB2 H 2.64 . 1 153 28 29 ASP HB3 H 2.71 . 1 154 29 30 GLU H H 8.45 . 1 155 29 30 GLU HA H 3.96 . 1 156 29 30 GLU HB2 H 2.5 . 1 157 29 30 GLU HB3 H 2.22 . 1 158 29 30 GLU HG2 H 2.28 . 2 159 29 30 GLU HG3 H 2.85 . 2 160 30 31 PHE H H 8.83 . 1 161 30 31 PHE HA H 4.04 . 1 162 30 31 PHE HB2 H 2.99 . 1 163 30 31 PHE HB3 H 3.09 . 1 164 30 31 PHE HD1 H 6.85 . 1 165 30 31 PHE HD2 H 6.85 . 1 166 30 31 PHE HE1 H 7.18 . 1 167 30 31 PHE HE2 H 7.18 . 1 168 30 31 PHE HZ H 7.19 . 1 169 31 32 LEU H H 8.22 . 1 170 31 32 LEU HA H 3.57 . 1 171 31 32 LEU HB2 H 1.6 . 1 172 31 32 LEU HB3 H 1.6 . 1 173 31 32 LEU HG H 1.3 . 1 174 31 32 LEU HD1 H .63 . 2 175 31 32 LEU HD2 H .72 . 2 176 32 33 LYS H H 7.51 . 1 177 32 33 LYS HA H 4 . 1 178 32 33 LYS HB2 H 1.85 . 1 179 32 33 LYS HB3 H 1.85 . 1 180 32 33 LYS HG2 H 1.46 . 2 181 32 33 LYS HG3 H 1.54 . 2 182 32 33 LYS HD2 H 1.64 . 1 183 32 33 LYS HD3 H 1.64 . 1 184 32 33 LYS HE2 H 2.95 . 1 185 32 33 LYS HE3 H 2.95 . 1 186 33 34 MET H H 7.82 . 1 187 33 34 MET HA H 4.11 . 1 188 33 34 MET HB2 H 2.04 . 1 189 33 34 MET HB3 H 2.15 . 1 190 33 34 MET HG2 H 2.47 . 2 191 33 34 MET HG3 H 2.55 . 2 192 33 34 MET HE H 1.96 . 1 193 34 35 MET H H 7.62 . 1 194 34 35 MET HA H 4.11 . 1 195 34 35 MET HB2 H 2.05 . 1 196 34 35 MET HB3 H 2.05 . 1 197 34 35 MET HG2 H 2.25 . 2 198 34 35 MET HG3 H 2.39 . 2 199 34 35 MET HE H 1.86 . 1 200 35 36 GLU H H 7.62 . 1 201 35 36 GLU HA H 4.29 . 1 202 35 36 GLU HB2 H 1.87 . 1 203 35 36 GLU HB3 H 1.76 . 1 204 35 36 GLU HG2 H 2 . 1 205 35 36 GLU HG3 H 2 . 1 206 36 37 GLY H H 8.01 . 1 207 36 37 GLY HA2 H 3.95 . 2 208 36 37 GLY HA3 H 4 . 2 209 37 38 VAL H H 7.62 . 1 210 37 38 VAL HA H 4.15 . 1 211 37 38 VAL HB H 2.15 . 1 212 37 38 VAL HG1 H .92 . 1 213 37 38 VAL HG2 H .92 . 1 214 38 39 GLN H H 7.81 . 1 215 38 39 GLN HA H 4.16 . 1 216 38 39 GLN HB2 H 1.93 . 1 217 38 39 GLN HB3 H 1.93 . 1 218 38 39 GLN HG2 H 2.29 . 1 219 38 39 GLN HG3 H 2.29 . 1 220 38 39 GLN HE21 H 6.85 . 2 221 38 39 GLN HE22 H 7.4 . 2 stop_ save_