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- PDB-1aj4: STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 1 STRUCTURE -

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Basic information

Entry
Database: PDB / ID: 1aj4
TitleSTRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 1 STRUCTURE
ComponentsTROPONIN C
KeywordsMUSCLE PROTEIN / CARDIAC / REGULATORY / CALCIUM BINDING
Function / homology
Function and homology information


cardiac Troponin complex / Striated Muscle Contraction / troponin I binding / skeletal muscle contraction / cardiac muscle contraction / calcium-dependent protein binding / calcium ion binding
Similarity search - Function
EF hand / EF-hand domain pair / : / EF-hand / Recoverin; domain 1 / EF-hand domain pair / EF-hand, calcium binding motif / EF-Hand 1, calcium-binding site / EF-hand calcium-binding domain. / EF-hand calcium-binding domain profile. ...EF hand / EF-hand domain pair / : / EF-hand / Recoverin; domain 1 / EF-hand domain pair / EF-hand, calcium binding motif / EF-Hand 1, calcium-binding site / EF-hand calcium-binding domain. / EF-hand calcium-binding domain profile. / EF-hand domain / EF-hand domain pair / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Troponin C, slow skeletal and cardiac muscles
Similarity search - Component
Biological speciesGallus gallus (chicken)
MethodSOLUTION NMR / simulated annealing
AuthorsSia, S.K. / Li, M.X. / Spyracopoulos, L. / Gagne, S.M. / Liu, W. / Putkey, J.A. / Sykes, B.D.
CitationJournal: J.Biol.Chem. / Year: 1997
Title: Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain.
Authors: Sia, S.K. / Li, M.X. / Spyracopoulos, L. / Gagne, S.M. / Liu, W. / Putkey, J.A. / Sykes, B.D.
History
DepositionMay 14, 1997Processing site: BNL
Revision 1.0May 20, 1998Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 3, 2021Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_conn_angle / pdbx_struct_oper_list / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4May 22, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: TROPONIN C
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,4324
Polymers18,3111
Non-polymers1203
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)1 / 35SMALLEST RMSD TO THE AVERAGE STRUCTURE
Representative

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Components

#1: Protein TROPONIN C / CTNC


Mass: 18311.275 Da / Num. of mol.: 1 / Mutation: C35S, C84S
Source method: isolated from a genetically manipulated source
Details: CARDIAC TROPONIN C, CALCIUM IONS BOUND AT SITES II, III AND IV
Source: (gene. exp.) Gallus gallus (chicken) / Tissue: MUSCLE / Cell line: BL21 / Cellular location: THIN FILAMENT / Gene: CTNC(A-CYS) / Organ: HEART / Plasmid: PET-23D / Gene (production host): CTNC(A-CYS) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) PLYSS / References: UniProt: P09860
#2: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Ca

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121TOCSY

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Sample preparation

Sample conditionspH: 6.7 / Temperature: 303 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Varian UNITYPLUSVarianUNITYPLUS5001
Varian UNITYPLUSVarianUNITYPLUS6002

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Processing

Software
NameVersionClassification
X-PLOR3.1model building
X-PLOR3.1refinement
X-PLOR3.1phasing
NMR software
NameVersionDeveloperClassification
X-PLOR3.1BRUNGERrefinement
X-PLORstructure solution
RefinementMethod: simulated annealing / Software ordinal: 1
Details: CALCULATIONS OF THE N- AND C-DOMAINS WERE PERFORMED SEPARATELY BECAUSE THE CENTRAL LINKER IS UNSTRUCTURED AND FLEXIBLE IN SOLUTION. THE ORIENTATION OF THE TWO DOMAINS WITH RESPECT TO EACH ...Details: CALCULATIONS OF THE N- AND C-DOMAINS WERE PERFORMED SEPARATELY BECAUSE THE CENTRAL LINKER IS UNSTRUCTURED AND FLEXIBLE IN SOLUTION. THE ORIENTATION OF THE TWO DOMAINS WITH RESPECT TO EACH OTHER AND THE STRUCTURE OF THE CENTRAL LINKER (RESIDUES 86 - 94) ARE THEREFORE UNDEFINED. THE N-DOMAIN (2 - 85) AND C-DOMAIN (95 - 161) IN THIS STRUCTURE ARE THE STRUCTURES IN THE ENSEMBLES CLOSEST TO THE UNMINIMIZED AVERAGE STRUCTURES. IN PARTICULAR, THE N-DOMAIN HERE CORRESPONDS TO MODEL 25 IN 2CTN, AND THE C-DOMAIN TO MODEL 3 IN 3CTN. THE CENTRAL LINKER HERE IS THE RESULT OF ENERGY MINIMIZATION WITHOUT EXPERIMENTAL RESTRAINTS, AND IS ADDED ONLY AS A TOOL OF CONVENIENCE.
NMR ensembleConformer selection criteria: SMALLEST RMSD TO THE AVERAGE STRUCTURE
Conformers calculated total number: 35 / Conformers submitted total number: 1

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