data_4824 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformations of the Regulatory Domain of Cardiac Troponin C Examined by Residual Dipolar Couplings; Complex with peptide ; _BMRB_accession_number 4824 _BMRB_flat_file_name bmr4824.str _Entry_type original _Submission_date 2000-09-07 _Accession_date 2000-09-07 _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 Paakkonen Kimmo . . 2 Sorsa Tia . . 3 Drakenberg Torbjorn . . 4 Pollesello Piero . . 5 Tilgmann Carola . . 6 Permi Perttu . . 7 Heikkinen Sami . . 8 Kilpelainen Ilkka . . 9 Annila Arto . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "residual dipolar couplings" 52 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-03-12 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4822 'apo form' 4823 'holo form' stop_ _Original_release_date 2001-03-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformations of the Regulatory Domain of Cardiac Troponin C Examined by Residual Dipolar Couplings ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20507572 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Paakkonen Kimmo . . 2 Sorsa Tia . . 3 Drakenberg Torbjorn . . 4 Pollesello Piero . . 5 Tilgmann Carola . . 6 Permi Perttu . . 7 Heikkinen Sami . . 8 Kilpelainen Ilkka . . 9 Annila Arto . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_name_full 'European Journal of Biochemistry' _Journal_volume 267 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6665 _Page_last 6672 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_NTnC_system _Saveframe_category molecular_system _Mol_system_name 'N terminal domain of Cardiac Troponin C' _Abbreviation_common NTnC _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 monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TnC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Troponin C' _Abbreviation_common TnC _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; GSMDDIYKAAVEQLTEEQKN EFKAAFDIFVLGAEDGCIST KELGKVMRMLGQNPTPEELQ EMIDEVDEDGSGTVDFDEFL VMMVRCMKDDSKG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 1 MET 4 2 ASP 5 3 ASP 6 4 ILE 7 5 TYR 8 6 LYS 9 7 ALA 10 8 ALA 11 9 VAL 12 10 GLU 13 11 GLN 14 12 LEU 15 13 THR 16 14 GLU 17 15 GLU 18 16 GLN 19 17 LYS 20 18 ASN 21 19 GLU 22 20 PHE 23 21 LYS 24 22 ALA 25 23 ALA 26 24 PHE 27 25 ASP 28 26 ILE 29 27 PHE 30 28 VAL 31 29 LEU 32 30 GLY 33 31 ALA 34 32 GLU 35 33 ASP 36 34 GLY 37 35 CYS 38 36 ILE 39 37 SER 40 38 THR 41 39 LYS 42 40 GLU 43 41 LEU 44 42 GLY 45 43 LYS 46 44 VAL 47 45 MET 48 46 ARG 49 47 MET 50 48 LEU 51 49 GLY 52 50 GLN 53 51 ASN 54 52 PRO 55 53 THR 56 54 PRO 57 55 GLU 58 56 GLU 59 57 LEU 60 58 GLN 61 59 GLU 62 60 MET 63 61 ILE 64 62 ASP 65 63 GLU 66 64 VAL 67 65 ASP 68 66 GLU 69 67 ASP 70 68 GLY 71 69 SER 72 70 GLY 73 71 THR 74 72 VAL 75 73 ASP 76 74 PHE 77 75 ASP 78 76 GLU 79 77 PHE 80 78 LEU 81 79 VAL 82 80 MET 83 81 MET 84 82 VAL 85 83 ARG 86 84 CYS 87 85 MET 88 86 LYS 89 87 ASP 90 88 ASP 91 89 SER 92 90 LYS 93 91 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 17103 cTnI(144-163) 65.38 20 100.00 100.00 7.97e-01 BMRB 25034 cChimera 100.00 141 100.00 100.00 5.52e-07 BMRB 25035 cChimeraX 100.00 141 100.00 100.00 5.86e-07 BMRB 5386 cTnI 65.38 17 100.00 100.00 8.16e-01 PDB 1J1D "Crystal Structure Of The 46kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 61.54 133 100.00 100.00 3.82e+00 PDB 1J1E "Crystal Structure Of The 52kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 100.00 180 100.00 100.00 4.43e-07 PDB 1LXF "Structure Of The Regulatory N-Domain Of Human Cardiac Troponin C In Complex With Human Cardiac Troponin-I(147- 163) And Bepridi" 65.38 17 100.00 100.00 8.16e-01 PDB 1MXL "Structure Of Cardiac Troponin C-troponin I Complex" 65.38 17 100.00 100.00 8.16e-01 PDB 2KGB "Nmr Solution Of The Regulatory Domain Cardiac F77w-Troponin C In Complex With The Cardiac Troponin I 144-163 Switch Peptide" 65.38 20 100.00 100.00 7.97e-01 PDB 2KRD "Solution Structure Of The Regulatory Domain Of Human Cardiac C In Complex With The Switch Region Of Cardiac Troponin I A" 65.38 17 100.00 100.00 8.16e-01 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" 65.38 20 100.00 100.00 7.97e-01 DBJ BAD97171 "troponin I, cardiac variant [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 EMBL CAA38102 "unnamed protein product [Homo sapiens]" 100.00 210 100.00 100.00 6.57e-07 EMBL CAA62301 "cardiac troponin I [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 EMBL CAG46782 "TNNI3 [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 EMBL CAH92121 "hypothetical protein [Pongo abelii]" 100.00 210 100.00 100.00 6.24e-07 GB AAA16157 "cardiac troponin I [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 GB AAH96165 "Troponin I type 3 (cardiac) [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 GB AAH96166 "Troponin I type 3 (cardiac) [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 GB AAH96167 "Troponin I type 3 (cardiac) [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 GB AAH99631 "Troponin I type 3 (cardiac) [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 PRF 1616225A "troponin I" 100.00 210 100.00 100.00 6.57e-07 REF NP_000354 "troponin I, cardiac muscle [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 REF NP_001126240 "troponin I, cardiac muscle [Pongo abelii]" 100.00 210 100.00 100.00 6.24e-07 REF XP_001085820 "PREDICTED: troponin I, cardiac muscle isoform 1 [Macaca mulatta]" 100.00 210 100.00 100.00 7.07e-07 REF XP_001381826 "PREDICTED: troponin I, cardiac muscle [Monodelphis domestica]" 100.00 272 100.00 100.00 1.13e-06 REF XP_002829813 "PREDICTED: troponin I, cardiac muscle-like, partial [Pongo abelii]" 100.00 183 100.00 100.00 4.32e-07 SP P19429 "RecName: Full=Troponin I, cardiac muscle; AltName: Full=Cardiac troponin I [Homo sapiens]" 100.00 210 100.00 100.00 7.07e-07 stop_ save_ save_TnI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'TnI peptide' _Abbreviation_common 'TnI peptide' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 26 _Mol_residue_sequence ; RISADAMMQALLGARAKESL DLRAHL ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 ILE 3 SER 4 ALA 5 ASP 6 ALA 7 MET 8 MET 9 GLN 10 ALA 11 LEU 12 LEU 13 GLY 14 ALA 15 ARG 16 ALA 17 LYS 18 GLU 19 SER 20 LEU 21 ASP 22 LEU 23 ARG 24 ALA 25 HIS 26 LEU stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Tissue $TnC human 9606 Eukaryota Metazoa Homo sapiens heart muscle $TnI human 9606 Eukaryota Metazoa Homo sapiens heart 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 $TnC 'recombinant technology' . . . . . $TnI 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type 'liquid crystal' _Details 'phage pf1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TnC . mM . $TnI . 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_1 save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 303 1 K stop_ save_ save_residual_dipolar_couplings _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error 1 8 LYS H 8 LYS N 3.44 ? ? . . . 2 10 ALA H 10 ALA N 6.66 ? ? . . . 3 11 VAL H 11 VAL N 5.45 ? ? . . . 4 12 GLU H 12 GLU N -7.55 ? ? . . . 5 13 GLN H 13 GLN N 5.92 ? ? . . . 6 16 GLU H 16 GLU N -2.13 ? ? . . . 7 17 GLU H 17 GLU N 0.20 ? ? . . . 8 18 GLN H 18 GLN N -10.60 ? ? . . . 9 19 LYS H 19 LYS N -5.82 ? ? . . . 10 20 ASN H 20 ASN N 0.59 ? ? . . . 11 21 GLU H 21 GLU N -3.45 ? ? . . . 12 22 PHE H 22 PHE N -9.61 ? ? . . . 13 23 LYS H 23 LYS N -1.38 ? ? . . . 14 25 ALA H 25 ALA N -5.08 ? ? . . . 15 26 PHE H 26 PHE N -3.26 ? ? . . . 16 27 ASP H 27 ASP N 1.26 ? ? . . . 17 28 ILE H 28 ILE N 1.97 ? ? . . . 18 29 PHE H 29 PHE N 4.62 ? ? . . . 19 37 CYS H 37 CYS N 1.97 ? ? . . . 20 38 ILE H 38 ILE N -8.12 ? ? . . . 21 39 SER H 39 SER N -6.85 ? ? . . . 22 40 THR H 40 THR N 1.40 ? ? . . . 23 41 LYS H 41 LYS N 0.23 ? ? . . . 24 42 GLU H 42 GLU N -5.91 ? ? . . . 25 43 LEU H 43 LEU N 3.51 ? ? . . . 26 44 GLY H 44 GLY N 3.90 ? ? . . . 27 45 LYS H 45 LYS N -0.40 ? ? . . . 28 46 VAL H 46 VAL N -0.91 ? ? . . . 29 47 MET H 47 MET N 4.05 ? ? . . . 30 48 ARG H 48 ARG N 3.78 ? ? . . . 31 49 MET H 49 MET N -2.26 ? ? . . . 32 50 LEU H 50 LEU N 3.25 ? ? . . . 33 57 GLU H 57 GLU N -3.48 ? ? . . . 34 58 GLU H 58 GLU N -12.49 ? ? . . . 35 59 LEU H 59 LEU N -6.92 ? ? . . . 36 60 GLN H 60 GLN N -2.47 ? ? . . . 37 61 GLU H 61 GLU N 3.34 ? ? . . . 38 64 ASP H 64 ASP N -6.45 ? ? . . . 39 65 GLU H 65 GLU N -11.01 ? ? . . . 40 66 VAL H 66 VAL N -8.72 ? ? . . . 41 73 THR H 73 THR N -10.81 ? ? . . . 42 74 VAL H 74 VAL N -9.79 ? ? . . . 43 75 ASP H 75 ASP N -6.46 ? ? . . . 44 76 PHE H 76 PHE N 4.93 ? ? . . . 45 78 GLU H 78 GLU N 2.97 ? ? . . . 46 79 PHE H 79 PHE N 4.15 ? ? . . . 47 80 LEU H 80 LEU N 2.22 ? ? . . . 48 81 VAL H 81 VAL N 7.21 ? ? . . . 49 83 MET H 83 MET N 2.56 ? ? . . . 50 84 VAL H 84 VAL N 2.87 ? ? . . . 51 85 ARG H 85 ARG N 3.96 ? ? . . . 52 86 CYS H 86 CYS N 3.09 ? ? . . . stop_ _Details . _Sample_conditions_label $cond1 _Spectrometer_frequency_1H . _Text_data_format . _Text_data . save_