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- PDB-2kfx: Structure of the N-terminal domain of human cardiac troponin C bo... -
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Basic information
Entry | Database: PDB / ID: 2kfx | ||||||
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Title | Structure of the N-terminal domain of human cardiac troponin C bound to calcium ion and to the inhibitor W7 | ||||||
![]() | Troponin C, slow skeletal and cardiac muscles | ||||||
![]() | METAL BINDING PROTEIN / calcium regulation / striated muscle / cardiac / troponin / W7 / cardiotonic drugs / Acetylation / Calcium / Cardiomyopathy / Disease mutation / Muscle protein / Polymorphism | ||||||
Function / homology | ![]() regulation of muscle filament sliding speed / troponin T binding / diaphragm contraction / regulation of ATP-dependent activity / cardiac Troponin complex / troponin complex / regulation of muscle contraction / transition between fast and slow fiber / Striated Muscle Contraction / response to metal ion ...regulation of muscle filament sliding speed / troponin T binding / diaphragm contraction / regulation of ATP-dependent activity / cardiac Troponin complex / troponin complex / regulation of muscle contraction / transition between fast and slow fiber / Striated Muscle Contraction / response to metal ion / ventricular cardiac muscle tissue morphogenesis / myosin II complex / troponin I binding / skeletal muscle contraction / cardiac muscle contraction / calcium-dependent protein binding / actin filament binding / calcium ion binding / protein homodimerization activity / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / molecular dynamics | ||||||
![]() | Hoffman, R.M.B. / Sykes, B.D. | ||||||
![]() | ![]() Title: Structure of the inhibitor W7 bound to the regulatory domain of cardiac troponin C. Authors: Hoffman, R.M. / Sykes, B.D. #1: ![]() Title: Binding of cardiac troponin-I147-163 induces a structural opening in human cardiac troponin-C. Authors: Li, M.X. / Spyracopoulos, L. / Sykes, B.D. #2: ![]() Title: Structure of the regulatory N-domain of human cardiac troponin C in complex with human cardiac troponin I147-163 and bepridil. Authors: Wang, X. / Li, M.X. / Sykes, B.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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PDBx/mmCIF format | ![]() | 278.7 KB | Display | ![]() |
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PDB format | ![]() | 233.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 428 KB | Display | ![]() |
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Full document | ![]() | 496.5 KB | Display | |
Data in XML | ![]() | 20.6 KB | Display | |
Data in CIF | ![]() | 31.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 10038.173 Da / Num. of mol.: 1 / Mutation: C35S, C84S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-CA / |
#3: Chemical | ChemComp-WW7 / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR Details: Structure of the N-terminal domain of human cardiac troponin C bound to the inhibitor W7 determined through isotopically edited and filtered transferred NOEs. This is based on the initial ...Details: Structure of the N-terminal domain of human cardiac troponin C bound to the inhibitor W7 determined through isotopically edited and filtered transferred NOEs. This is based on the initial coordinates of 1LXF, the intraprotein conformational restraints of 1MXL, and target geometries for a calcium-binding loop. The amine moiety of W7 is charged in this structure determination. |
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NMR experiment | Type: 3D-{1H,12C}-filtered-{1H,13C}-edited NOESY |
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Sample preparation
Details | Contents: 0.8 mM [U-99% 13C; U-99% 15N] cNTnC, 4.9 mM CALCIUM ION, 0.8 mM N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE, 10 mM imidazole, 83 mM [U-99% 2H] DSS, 100% D2O Solvent system: 100% D2O | ||||||||||||||||||||||||
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Sample |
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Sample conditions | pH: 6.75 / Temperature: 303 K |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 1 | ||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 10 |