data_16414 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Interaction of the Second Binding Region Troponin I with the Regulatory Domain of Skeletal Muscle Troponin C as Determined by NMR Spectroscopy ; _BMRB_accession_number 16414 _BMRB_flat_file_name bmr16414.str _Entry_type original _Submission_date 2009-07-16 _Accession_date 2009-07-16 _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 McKay Ryan T. . 2 Tripet Brian P. . 3 Hodges Robert S. . 4 Sykes Brian D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-05 original author . stop_ _Original_release_date 2010-03-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Interaction of the Second Binding Region of Troponin I with the Regulatory Domain of Skeletal Muscle Troponin C as Determined by NMR Spectroscopy' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9353310 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McKay Ryan T. . 2 Tripet Brian P. . 3 Hodges Robert S. . 4 Sykes Brian D. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 272 _Journal_issue 45 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 28494 _Page_last 28500 _Year 1997 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TnC-TnI _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TnC $TnC TnI $TnI 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_TnC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TnC _Molecular_mass . _Mol_thiol_state 'not present' _Details 'calcium saturated troponin' ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; ASMTDQQAEARAFLSEEMIA EFKAAFDMFDADGGGDISTK ELGTVMRMLGQNPTKCELDA IICEVDEDGSGTIDFEEFLV MMVRQMKEDA ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 SER 3 MET 4 THR 5 ASP 6 GLN 7 GLN 8 ALA 9 GLU 10 ALA 11 ARG 12 ALA 13 PHE 14 LEU 15 SER 16 GLU 17 GLU 18 MET 19 ILE 20 ALA 21 GLU 22 PHE 23 LYS 24 ALA 25 ALA 26 PHE 27 ASP 28 MET 29 PHE 30 ASP 31 ALA 32 ASP 33 GLY 34 GLY 35 GLY 36 ASP 37 ILE 38 SER 39 THR 40 LYS 41 GLU 42 LEU 43 GLY 44 THR 45 VAL 46 MET 47 ARG 48 MET 49 LEU 50 GLY 51 GLN 52 ASN 53 PRO 54 THR 55 LYS 56 CYS 57 GLU 58 LEU 59 ASP 60 ALA 61 ILE 62 ILE 63 CYS 64 GLU 65 VAL 66 ASP 67 GLU 68 ASP 69 GLY 70 SER 71 GLY 72 THR 73 ILE 74 ASP 75 PHE 76 GLU 77 GLU 78 PHE 79 LEU 80 VAL 81 MET 82 MET 83 VAL 84 ARG 85 GLN 86 MET 87 LYS 88 GLU 89 ASP 90 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 4232 apoTroponin-C 100.00 90 97.78 97.78 1.33e-52 BMRB 4401 "skeletal N-troponin C" 100.00 90 97.78 97.78 1.33e-52 PDB 1AVS "X-Ray Crystallographic Study Of Calcium-Saturated N- Terminal Domain Of Troponin C" 100.00 90 97.78 97.78 1.33e-52 PDB 1BLQ "Structure And Interaction Site Of The Regulatory Domain Of Troponin-C When Complexed With The 96-148 Region Of Troponin-I, Nmr," 100.00 90 97.78 97.78 1.33e-52 PDB 1NPQ "Structure Of A Rhodamine-Labeled N-Domain Troponin C Mutant (Ca2+ Saturated) In Complex With Skeletal Troponin I 115- 131" 100.00 90 100.00 100.00 8.04e-56 PDB 1SKT "Solution Structure Of Apo N-Domain Of Troponin C, Nmr, 40 Structures" 100.00 90 97.78 97.78 1.33e-52 PDB 1TNP "Structures Of The Apo And Calcium Troponin-C Regulatory Domains: The Muscle Contraction Switch" 100.00 90 97.78 97.78 1.33e-52 PDB 1TNQ "Structures Of The Apo And Calcium Troponin-C Regulatory Domains: The Muscle Contraction Switch" 100.00 90 97.78 97.78 1.33e-52 PDB 1TRF "Solution Structure Of The Tr1c Fragment Of Skeletal Muscle Troponin-C" 84.44 76 97.37 97.37 1.91e-42 PDB 1ZAC "N-Domain Of Troponin C From Chicken Skeletal Muscle, Nmr, Minimized Average Structure" 100.00 90 97.78 97.78 1.33e-52 REF XP_005057071 "PREDICTED: troponin C, skeletal muscle isoform X1 [Ficedula albicollis]" 97.78 169 97.73 97.73 4.68e-50 REF XP_009321443 "PREDICTED: troponin C, skeletal muscle [Pygoscelis adeliae]" 76.67 120 97.10 97.10 5.38e-37 REF XP_009582608 "PREDICTED: troponin C, skeletal muscle, partial [Fulmarus glacialis]" 73.33 120 96.97 96.97 1.88e-34 REF XP_009992324 "PREDICTED: troponin C, skeletal muscle [Chaetura pelagica]" 96.67 112 97.70 97.70 6.13e-50 REF XP_013053940 "PREDICTED: troponin C, skeletal muscle [Anser cygnoides domesticus]" 81.11 162 97.26 97.26 3.38e-39 stop_ save_ save_TnI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TnI _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 17 _Mol_residue_sequence RMSADAMLRALLGSKHK loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 115 ARG 2 116 MET 3 117 SER 4 118 ALA 5 119 ASP 6 120 ALA 7 121 MET 8 122 LEU 9 123 ARG 10 124 ALA 11 125 LEU 12 126 LEU 13 127 GLY 14 128 SER 15 129 LYS 16 130 HIS 17 131 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 5738 Troponin_I 100.00 17 100.00 100.00 2.92e-01 PDB 1NPQ "Structure Of A Rhodamine-Labeled N-Domain Troponin C Mutant (Ca2+ Saturated) In Complex With Skeletal Troponin I 115- 131" 100.00 17 100.00 100.00 2.92e-01 PDB 1YTZ "Crystal Structure Of Skeletal Muscle Troponin In The Ca2+- Activated State" 100.00 182 100.00 100.00 2.97e-01 PDB 1YV0 "Crystal Structure Of Skeletal Muscle Troponin In The Ca2+- Free State" 100.00 137 100.00 100.00 1.61e-01 PDB 2W49 "Isometrically Contracting Insect Asynchronous Flight Muscle" 100.00 141 100.00 100.00 1.66e-01 PDB 2W4U "Isometrically Contracting Insect Asynchronous Flight Muscle Quick Frozen After A Length Step" 100.00 141 100.00 100.00 1.66e-01 EMBL CAA27447 "sTnI protein (aa 85-182), partial [Gallus gallus]" 100.00 98 100.00 100.00 1.35e-01 GB AAA61952 "troponin I [Gallus gallus]" 100.00 183 100.00 100.00 3.56e-01 GB AAB00122 "troponin I [Coturnix coturnix]" 100.00 183 100.00 100.00 3.56e-01 GB AAH44282 "MGC53248 protein [Xenopus laevis]" 100.00 182 100.00 100.00 3.28e-01 GB AAH84508 "troponin I type 2 (skeletal, fast) [Xenopus (Silurana) tropicalis]" 100.00 182 100.00 100.00 3.35e-01 GB AAL86905 "fast troponin I [Xenopus laevis]" 100.00 182 100.00 100.00 3.28e-01 REF NP_001011110 "troponin I type 2 (skeletal, fast) [Xenopus (Silurana) tropicalis]" 100.00 182 100.00 100.00 3.35e-01 REF NP_001079556 "troponin I type 2 (skeletal, fast) [Xenopus laevis]" 100.00 182 100.00 100.00 3.28e-01 REF NP_990748 "troponin I, fast skeletal muscle [Gallus gallus]" 100.00 183 100.00 100.00 3.56e-01 REF XP_001518819 "PREDICTED: troponin I, fast skeletal muscle-like [Ornithorhynchus anatinus]" 100.00 162 100.00 100.00 2.77e-01 REF XP_002199061 "PREDICTED: troponin I, fast skeletal muscle [Taeniopygia guttata]" 100.00 183 100.00 100.00 3.49e-01 SP P68246 "RecName: Full=Troponin I, fast skeletal muscle; AltName: Full=Troponin I, fast-twitch isoform [Gallus gallus]" 100.00 183 100.00 100.00 3.56e-01 SP P68247 "RecName: Full=Troponin I, fast skeletal muscle; AltName: Full=Troponin I, fast-twitch isoform [Coturnix japonica]" 100.00 183 100.00 100.00 3.56e-01 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TnC chicken 9031 Eukaryota Metazoa Gallus gallus $TnI rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus 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 $TnC 'chemical synthesis' . Gallus gallus . . $TnI 'chemical synthesis' . Oryctolagus cuniculus . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'TnI was added in 5 uL aliquots for a TnI to TnC ratio of 1.4:1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TnC 1.36 mM '[U-50% 15N; 2H]' imidazole 10 mM 'natural abundance' DSS 0.1 mM 'natural abundance' 'potassium chloride' 0 mM 'natural abundance' 'calcium chloride' 5.4 mM 'natural abundance' $TnI 1.9 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'TnI was added in 5 uL aliquots for a TnI to TnC ratio of 1.7:1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TnC 1.54 mM '[U-50% 15N; 2H]' imidazole 10 mM 'natural abundance' DSS 0.1 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'calcium chloride' 6 mM 'natural abundance' $TnI 2.72 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.85 . pH pressure 1 . atm temperature 304 . K stop_ save_