data_16414 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16414 _Entry.Title ; Interaction of the Second Binding Region Troponin I with the Regulatory Domain of Skeletal Muscle Troponin C as Determined by NMR Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-16 _Entry.Accession_date 2009-07-16 _Entry.Last_release_date 2010-03-05 _Entry.Original_release_date 2010-03-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ryan McKay . T. . 16414 2 Brian Tripet . P. . 16414 3 Robert Hodges . S. . 16414 4 Brian Sykes . D. . 16414 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID binding_constants 1 16414 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 2 16414 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-03-05 2009-07-23 original author . 16414 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16414 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9353310 _Citation.Full_citation . _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 _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 272 _Citation.Journal_issue 45 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 28494 _Citation.Page_last 28500 _Citation.Year 1997 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ryan McKay . T. . 16414 1 2 Brian Tripet . P. . 16414 1 3 Robert Hodges . S. . 16414 1 4 Brian Sykes . D. . 16414 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16414 _Assembly.ID 1 _Assembly.Name TnC-TnI _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TnC 1 $TnC A . yes native no no . . . 16414 1 2 TnI 2 $TnI B . yes native no no . . . 16414 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TnC _Entity.Sf_category entity _Entity.Sf_framecode TnC _Entity.Entry_ID 16414 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TnC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASMTDQQAEARAFLSEEMIA EFKAAFDMFDADGGGDISTK ELGTVMRMLGQNPTKCELDA IICEVDEDGSGTIDFEEFLV MMVRQMKEDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 1-90' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'calcium saturated troponin' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4232 . apoTroponin-C . . . . . 100.00 90 97.78 97.78 1.46e-52 . . . . 16414 1 2 no BMRB 4401 . "skeletal N-troponin C" . . . . . 100.00 90 97.78 97.78 1.46e-52 . . . . 16414 1 3 no PDB 1AVS . "X-Ray Crystallographic Study Of Calcium-Saturated N- Terminal Domain Of Troponin C" . . . . . 100.00 90 97.78 97.78 1.46e-52 . . . . 16414 1 4 no 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 1.46e-52 . . . . 16414 1 5 no 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 8.86e-56 . . . . 16414 1 6 no PDB 1SKT . "Solution Structure Of Apo N-Domain Of Troponin C, Nmr, 40 Structures" . . . . . 100.00 90 97.78 97.78 1.46e-52 . . . . 16414 1 7 no PDB 1TNP . "Structures Of The Apo And Calcium Troponin-C Regulatory Domains: The Muscle Contraction Switch" . . . . . 100.00 90 97.78 97.78 1.46e-52 . . . . 16414 1 8 no PDB 1TNQ . "Structures Of The Apo And Calcium Troponin-C Regulatory Domains: The Muscle Contraction Switch" . . . . . 100.00 90 97.78 97.78 1.46e-52 . . . . 16414 1 9 no PDB 1TRF . "Solution Structure Of The Tr1c Fragment Of Skeletal Muscle Troponin-C" . . . . . 84.44 76 97.37 97.37 2.11e-42 . . . . 16414 1 10 no PDB 1ZAC . "N-Domain Of Troponin C From Chicken Skeletal Muscle, Nmr, Minimized Average Structure" . . . . . 100.00 90 97.78 97.78 1.46e-52 . . . . 16414 1 11 no REF XP_005057071 . "PREDICTED: troponin C, skeletal muscle isoform X1 [Ficedula albicollis]" . . . . . 97.78 169 97.73 97.73 5.16e-50 . . . . 16414 1 12 no REF XP_009321443 . "PREDICTED: troponin C, skeletal muscle [Pygoscelis adeliae]" . . . . . 76.67 120 97.10 97.10 5.93e-37 . . . . 16414 1 13 no REF XP_009582608 . "PREDICTED: troponin C, skeletal muscle, partial [Fulmarus glacialis]" . . . . . 73.33 120 96.97 96.97 2.07e-34 . . . . 16414 1 14 no REF XP_009992324 . "PREDICTED: troponin C, skeletal muscle [Chaetura pelagica]" . . . . . 96.67 112 97.70 97.70 6.76e-50 . . . . 16414 1 15 no REF XP_013053940 . "PREDICTED: troponin C, skeletal muscle [Anser cygnoides domesticus]" . . . . . 81.11 162 97.26 97.26 3.73e-39 . . . . 16414 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 16414 1 2 . SER . 16414 1 3 . MET . 16414 1 4 . THR . 16414 1 5 . ASP . 16414 1 6 . GLN . 16414 1 7 . GLN . 16414 1 8 . ALA . 16414 1 9 . GLU . 16414 1 10 . ALA . 16414 1 11 . ARG . 16414 1 12 . ALA . 16414 1 13 . PHE . 16414 1 14 . LEU . 16414 1 15 . SER . 16414 1 16 . GLU . 16414 1 17 . GLU . 16414 1 18 . MET . 16414 1 19 . ILE . 16414 1 20 . ALA . 16414 1 21 . GLU . 16414 1 22 . PHE . 16414 1 23 . LYS . 16414 1 24 . ALA . 16414 1 25 . ALA . 16414 1 26 . PHE . 16414 1 27 . ASP . 16414 1 28 . MET . 16414 1 29 . PHE . 16414 1 30 . ASP . 16414 1 31 . ALA . 16414 1 32 . ASP . 16414 1 33 . GLY . 16414 1 34 . GLY . 16414 1 35 . GLY . 16414 1 36 . ASP . 16414 1 37 . ILE . 16414 1 38 . SER . 16414 1 39 . THR . 16414 1 40 . LYS . 16414 1 41 . GLU . 16414 1 42 . LEU . 16414 1 43 . GLY . 16414 1 44 . THR . 16414 1 45 . VAL . 16414 1 46 . MET . 16414 1 47 . ARG . 16414 1 48 . MET . 16414 1 49 . LEU . 16414 1 50 . GLY . 16414 1 51 . GLN . 16414 1 52 . ASN . 16414 1 53 . PRO . 16414 1 54 . THR . 16414 1 55 . LYS . 16414 1 56 . CYS . 16414 1 57 . GLU . 16414 1 58 . LEU . 16414 1 59 . ASP . 16414 1 60 . ALA . 16414 1 61 . ILE . 16414 1 62 . ILE . 16414 1 63 . CYS . 16414 1 64 . GLU . 16414 1 65 . VAL . 16414 1 66 . ASP . 16414 1 67 . GLU . 16414 1 68 . ASP . 16414 1 69 . GLY . 16414 1 70 . SER . 16414 1 71 . GLY . 16414 1 72 . THR . 16414 1 73 . ILE . 16414 1 74 . ASP . 16414 1 75 . PHE . 16414 1 76 . GLU . 16414 1 77 . GLU . 16414 1 78 . PHE . 16414 1 79 . LEU . 16414 1 80 . VAL . 16414 1 81 . MET . 16414 1 82 . MET . 16414 1 83 . VAL . 16414 1 84 . ARG . 16414 1 85 . GLN . 16414 1 86 . MET . 16414 1 87 . LYS . 16414 1 88 . GLU . 16414 1 89 . ASP . 16414 1 90 . ALA . 16414 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 16414 1 . SER 2 2 16414 1 . MET 3 3 16414 1 . THR 4 4 16414 1 . ASP 5 5 16414 1 . GLN 6 6 16414 1 . GLN 7 7 16414 1 . ALA 8 8 16414 1 . GLU 9 9 16414 1 . ALA 10 10 16414 1 . ARG 11 11 16414 1 . ALA 12 12 16414 1 . PHE 13 13 16414 1 . LEU 14 14 16414 1 . SER 15 15 16414 1 . GLU 16 16 16414 1 . GLU 17 17 16414 1 . MET 18 18 16414 1 . ILE 19 19 16414 1 . ALA 20 20 16414 1 . GLU 21 21 16414 1 . PHE 22 22 16414 1 . LYS 23 23 16414 1 . ALA 24 24 16414 1 . ALA 25 25 16414 1 . PHE 26 26 16414 1 . ASP 27 27 16414 1 . MET 28 28 16414 1 . PHE 29 29 16414 1 . ASP 30 30 16414 1 . ALA 31 31 16414 1 . ASP 32 32 16414 1 . GLY 33 33 16414 1 . GLY 34 34 16414 1 . GLY 35 35 16414 1 . ASP 36 36 16414 1 . ILE 37 37 16414 1 . SER 38 38 16414 1 . THR 39 39 16414 1 . LYS 40 40 16414 1 . GLU 41 41 16414 1 . LEU 42 42 16414 1 . GLY 43 43 16414 1 . THR 44 44 16414 1 . VAL 45 45 16414 1 . MET 46 46 16414 1 . ARG 47 47 16414 1 . MET 48 48 16414 1 . LEU 49 49 16414 1 . GLY 50 50 16414 1 . GLN 51 51 16414 1 . ASN 52 52 16414 1 . PRO 53 53 16414 1 . THR 54 54 16414 1 . LYS 55 55 16414 1 . CYS 56 56 16414 1 . GLU 57 57 16414 1 . LEU 58 58 16414 1 . ASP 59 59 16414 1 . ALA 60 60 16414 1 . ILE 61 61 16414 1 . ILE 62 62 16414 1 . CYS 63 63 16414 1 . GLU 64 64 16414 1 . VAL 65 65 16414 1 . ASP 66 66 16414 1 . GLU 67 67 16414 1 . ASP 68 68 16414 1 . GLY 69 69 16414 1 . SER 70 70 16414 1 . GLY 71 71 16414 1 . THR 72 72 16414 1 . ILE 73 73 16414 1 . ASP 74 74 16414 1 . PHE 75 75 16414 1 . GLU 76 76 16414 1 . GLU 77 77 16414 1 . PHE 78 78 16414 1 . LEU 79 79 16414 1 . VAL 80 80 16414 1 . MET 81 81 16414 1 . MET 82 82 16414 1 . VAL 83 83 16414 1 . ARG 84 84 16414 1 . GLN 85 85 16414 1 . MET 86 86 16414 1 . LYS 87 87 16414 1 . GLU 88 88 16414 1 . ASP 89 89 16414 1 . ALA 90 90 16414 1 stop_ save_ save_TnI _Entity.Sf_category entity _Entity.Sf_framecode TnI _Entity.Entry_ID 16414 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TnI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code RMSADAMLRALLGSKHK _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 115-131' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5738 . Troponin_I . . . . . 100.00 17 100.00 100.00 2.92e-01 . . . . 16414 2 2 no 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 . . . . 16414 2 3 no PDB 1YTZ . "Crystal Structure Of Skeletal Muscle Troponin In The Ca2+- Activated State" . . . . . 100.00 182 100.00 100.00 2.97e-01 . . . . 16414 2 4 no PDB 1YV0 . "Crystal Structure Of Skeletal Muscle Troponin In The Ca2+- Free State" . . . . . 100.00 137 100.00 100.00 1.61e-01 . . . . 16414 2 5 no PDB 2W49 . "Isometrically Contracting Insect Asynchronous Flight Muscle" . . . . . 100.00 141 100.00 100.00 1.66e-01 . . . . 16414 2 6 no PDB 2W4U . "Isometrically Contracting Insect Asynchronous Flight Muscle Quick Frozen After A Length Step" . . . . . 100.00 141 100.00 100.00 1.66e-01 . . . . 16414 2 7 no EMBL CAA27447 . "sTnI protein (aa 85-182), partial [Gallus gallus]" . . . . . 100.00 98 100.00 100.00 1.35e-01 . . . . 16414 2 8 no GB AAA61952 . "troponin I [Gallus gallus]" . . . . . 100.00 183 100.00 100.00 3.56e-01 . . . . 16414 2 9 no GB AAB00122 . "troponin I [Coturnix coturnix]" . . . . . 100.00 183 100.00 100.00 3.56e-01 . . . . 16414 2 10 no GB AAH44282 . "MGC53248 protein [Xenopus laevis]" . . . . . 100.00 182 100.00 100.00 3.28e-01 . . . . 16414 2 11 no GB AAH84508 . "troponin I type 2 (skeletal, fast) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 182 100.00 100.00 3.35e-01 . . . . 16414 2 12 no GB AAL86905 . "fast troponin I [Xenopus laevis]" . . . . . 100.00 182 100.00 100.00 3.28e-01 . . . . 16414 2 13 no REF NP_001011110 . "troponin I type 2 (skeletal, fast) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 182 100.00 100.00 3.35e-01 . . . . 16414 2 14 no REF NP_001079556 . "troponin I type 2 (skeletal, fast) [Xenopus laevis]" . . . . . 100.00 182 100.00 100.00 3.28e-01 . . . . 16414 2 15 no REF NP_990748 . "troponin I, fast skeletal muscle [Gallus gallus]" . . . . . 100.00 183 100.00 100.00 3.56e-01 . . . . 16414 2 16 no REF XP_001518819 . "PREDICTED: troponin I, fast skeletal muscle-like [Ornithorhynchus anatinus]" . . . . . 100.00 162 100.00 100.00 2.77e-01 . . . . 16414 2 17 no REF XP_002199061 . "PREDICTED: troponin I, fast skeletal muscle [Taeniopygia guttata]" . . . . . 100.00 183 100.00 100.00 3.49e-01 . . . . 16414 2 18 no 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 . . . . 16414 2 19 no 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 . . . . 16414 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 115 ARG . 16414 2 2 116 MET . 16414 2 3 117 SER . 16414 2 4 118 ALA . 16414 2 5 119 ASP . 16414 2 6 120 ALA . 16414 2 7 121 MET . 16414 2 8 122 LEU . 16414 2 9 123 ARG . 16414 2 10 124 ALA . 16414 2 11 125 LEU . 16414 2 12 126 LEU . 16414 2 13 127 GLY . 16414 2 14 128 SER . 16414 2 15 129 LYS . 16414 2 16 130 HIS . 16414 2 17 131 LYS . 16414 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 16414 2 . MET 2 2 16414 2 . SER 3 3 16414 2 . ALA 4 4 16414 2 . ASP 5 5 16414 2 . ALA 6 6 16414 2 . MET 7 7 16414 2 . LEU 8 8 16414 2 . ARG 9 9 16414 2 . ALA 10 10 16414 2 . LEU 11 11 16414 2 . LEU 12 12 16414 2 . GLY 13 13 16414 2 . SER 14 14 16414 2 . LYS 15 15 16414 2 . HIS 16 16 16414 2 . LYS 17 17 16414 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16414 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TnC . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 16414 1 2 2 $TnI . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . . . . . . . . . 16414 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16414 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TnC . 'chemical synthesis' 'Gallus gallus' . . . Gallus gallus . . . . . . . . . . . . . . . . . . . . . . . 16414 1 2 2 $TnI . 'chemical synthesis' 'Oryctolagus cuniculus' . . . Oryctolagus cuniculus . . . . . . . . . . . . . . . . . . . . . . . 16414 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16414 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'TnI was added in 5 uL aliquots for a TnI to TnC ratio of 1.4:1' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TnC '[U-50% 15N; 2H]' . . 1 $TnC . . 1.36 . . mM 0.03 . . . 16414 1 2 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 16414 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16414 1 4 'potassium chloride' 'natural abundance' . . . . . . 0 . . mM . . . . 16414 1 5 'calcium chloride' 'natural abundance' . . . . . . 5.4 . . mM . . . . 16414 1 6 TnI 'natural abundance' . . 2 $TnI . . 1.9 . . mM . . . . 16414 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16414 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16414 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16414 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'TnI was added in 5 uL aliquots for a TnI to TnC ratio of 1.7:1' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TnC '[U-50% 15N; 2H]' . . 1 $TnC . . 1.54 . . mM 0.1 . . . 16414 2 2 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 16414 2 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16414 2 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16414 2 5 'calcium chloride' 'natural abundance' . . . . . . 6 . . mM . . . . 16414 2 6 TnI 'natural abundance' . . 2 $TnI . . 2.72 . . mM . . . . 16414 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16414 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16414 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16414 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.85 . pH 16414 1 pressure 1 . atm 16414 1 temperature 304 . K 16414 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16414 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16414 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16414 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 16414 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 16414 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16414 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16414 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16414 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity . 600 . . . 16414 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16414 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16414 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16414 1 stop_ save_ save_binding_data _Binding_value_list.Sf_category binding_data _Binding_value_list.Sf_framecode binding_data _Binding_value_list.Entry_ID 16414 _Binding_value_list.ID 1 _Binding_value_list.Sample_condition_list_ID 1 _Binding_value_list.Sample_condition_list_label $sample_conditions_1 _Binding_value_list.Details . _Binding_value_list.Text_data_format . _Binding_value_list.Text_data . loop_ _Binding_experiment.Experiment_ID _Binding_experiment.Experiment_name _Binding_experiment.Sample_ID _Binding_experiment.Sample_label _Binding_experiment.Sample_state _Binding_experiment.Entry_ID _Binding_experiment.Binding_value_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 16414 1 2 '2D 1H-15N HSQC' 2 $sample_2 . 16414 1 stop_ loop_ _Binding_software.Software_ID _Binding_software.Software_label _Binding_software.Method_ID _Binding_software.Method_label _Binding_software.Entry_ID _Binding_software.Binding_value_list_ID 2 $PIPP . . 16414 1 stop_ loop_ _Binding_result.ID _Binding_result.Experiment_ID _Binding_result.Assembly_ID _Binding_result.Atm_obs_assembly_atom_ID _Binding_result.Atm_obs_entity_assembly_ID _Binding_result.Atm_obs_entity_ID _Binding_result.Atm_obs_comp_index_ID _Binding_result.Atm_obs_seq_ID _Binding_result.Atm_obs_comp_ID _Binding_result.Atm_obs_atom_ID _Binding_result.Atm_obs_atom_type _Binding_result.Atm_obs_atom_isotope_number _Binding_result.Resonance_ID _Binding_result.Atm_obs_auth_entity_assembly_ID _Binding_result.Atm_obs_auth_seq_ID _Binding_result.Atm_obs_auth_comp_ID _Binding_result.Atm_obs_auth_atom_ID _Binding_result.Expt_observed_param _Binding_result.Val_type _Binding_result.Val _Binding_result.Val_err _Binding_result.Val_units _Binding_result.Entry_ID _Binding_result.Binding_value_list_ID 1 1 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 28 . uM 16414 1 2 2 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 24 . uM 16414 1 stop_ loop_ _Binding_partners.Binding_result_ID _Binding_partners.Assembly_ID _Binding_partners.Entity_assembly_ID _Binding_partners.Entity_assembly_name _Binding_partners.Entity_ID _Binding_partners.Entity_label _Binding_partners.Entry_ID _Binding_partners.Binding_value_list_ID 1 1 1 TnC 1 $TnC 16414 1 1 1 2 TnI 2 $TnI 16414 1 2 1 1 TnC 1 $TnC 16414 1 2 1 2 TnI 2 $TnI 16414 1 stop_ save_