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Yorodumi- PDB-6csc: CHICKEN CITRATE SYNTHASE COMPLEX WITH TRIFLUOROACETONYL-COA AND C... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6csc | ||||||
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Title | CHICKEN CITRATE SYNTHASE COMPLEX WITH TRIFLUOROACETONYL-COA AND CITRATE | ||||||
Components | CITRATE SYNTHASE | ||||||
Keywords | OXO-ACID-LYASE / TRICARBOXYLIC ACID CYCLE / ALLOSTERIC ENZYME | ||||||
Function / homology | Function and homology information citrate (Si)-synthase / The tricarboxylic acid cycle / citrate synthase activity / citrate (Si)-synthase activity / citrate metabolic process / tricarboxylic acid cycle / carbohydrate metabolic process / mitochondrial matrix / mitochondrion Similarity search - Function | ||||||
Biological species | Gallus gallus (chicken) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.25 Å | ||||||
Authors | Usher, K.C. / Remington, S.J. | ||||||
Citation | Journal: To be Published Title: Trifluoroacetonyl Coenzyme A, an Inhibitor of Citrate Synthase, Binds in a Combination of Productive and Nonproductive Modes Authors: Usher, K.C. / Branchaud, B. / Remington, S.J. #1: Journal: Biochemistry / Year: 1994 Title: A Very Short Hydrogen Bond Provides Only Moderate Stabilization of an Enzyme-Inhibitor Complex of Citrate Synthase Authors: Usher, K.C. / Remington, S.J. / Martin, D.P. / Drueckhammer, D.G. #2: Journal: J.Mol.Biol. / Year: 1984 Title: Crystal Structure Analysis and Molecular Model of a Complex of Citrate Synthase with Oxaloacetate and S-Acetonyl-Coenzyme A Authors: Wiegand, G. / Remington, S. / Deisenhofer, J. / Huber, R. #3: Journal: J.Mol.Biol. / Year: 1982 Title: Crystallographic Refinement and Atomic Models of Two Different Forms of Citrate Synthase at 2.7 And 1.7 A Resolution Authors: Remington, S. / Wiegand, G. / Huber, R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6csc.cif.gz | 183.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6csc.ent.gz | 146.1 KB | Display | PDB format |
PDBx/mmJSON format | 6csc.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6csc_validation.pdf.gz | 1.6 MB | Display | wwPDB validaton report |
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Full document | 6csc_full_validation.pdf.gz | 1.6 MB | Display | |
Data in XML | 6csc_validation.xml.gz | 40.5 KB | Display | |
Data in CIF | 6csc_validation.cif.gz | 54.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cs/6csc ftp://data.pdbj.org/pub/pdb/validation_reports/cs/6csc | HTTPS FTP |
-Related structure data
Related structure data | 1cscS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.14515, -0.30364, 0.94166), Vector: |
-Components
#1: Protein | Mass: 48333.086 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Gallus gallus (chicken) / Cellular location: INNER MATRIX / Organ: HEART / Organelle: MITOCHONDRIA / Tissue: MUSCLE / References: UniProt: P23007, EC: 4.1.3.7 #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.4 Å3/Da / Density % sol: 55 % |
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Crystal grow | pH: 6 Details: CRYSTALLIZED FROM 1.05M NA CITRATE, PH 6.0 2 MM TRIFLUOROACETONYL COENZYME A |
-Data collection
Diffraction | Mean temperature: 295 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: XUONG-HAMLIN MULTIWIRE / Detector: AREA DETECTOR / Date: Jan 15, 1993 / Details: COLLIMATOR |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.23→25 Å / Num. obs: 40589 / % possible obs: 84 % / Observed criterion σ(I): 0 / Redundancy: 2.6 % / Rmerge(I) obs: 0.051 / Net I/σ(I): 9.1 |
Reflection shell | Resolution: 2.23→2.4 Å / Redundancy: 1.4 % / Rmerge(I) obs: 0.138 / Mean I/σ(I) obs: 2.5 / % possible all: 51 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1CSC Resolution: 2.25→25 Å / Isotropic thermal model: TNT BCORREL V1.0 / σ(F): 0 / Stereochemistry target values: TNT PROTGEO
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Solvent computation | Solvent model: BABINET SCALING / Bsol: 478 Å2 / ksol: 0.99 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.25→25 Å
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Refine LS restraints |
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