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Yorodumi- PDB-2h3p: Crystal structure of murine carnitine acetyltransferase in comple... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2h3p | ||||||
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Title | Crystal structure of murine carnitine acetyltransferase in complex with carnitine and acetyl-CoA | ||||||
Components | carnitine acetyltransferaseCarnitine O-acetyltransferase | ||||||
Keywords | TRANSFERASE / carnitine acyltransferase | ||||||
Function / homology | Function and homology information carnitine O-acetyltransferase / carnitine O-acetyltransferase activity / Beta-oxidation of pristanoyl-CoA / carnitine O-octanoyltransferase / carnitine metabolic process, CoA-linked / acyl-CoA oxidase activity / carnitine O-octanoyltransferase activity / fatty acid beta-oxidation using acyl-CoA oxidase / short-chain fatty acid metabolic process / medium-chain fatty acid metabolic process ...carnitine O-acetyltransferase / carnitine O-acetyltransferase activity / Beta-oxidation of pristanoyl-CoA / carnitine O-octanoyltransferase / carnitine metabolic process, CoA-linked / acyl-CoA oxidase activity / carnitine O-octanoyltransferase activity / fatty acid beta-oxidation using acyl-CoA oxidase / short-chain fatty acid metabolic process / medium-chain fatty acid metabolic process / Peroxisomal protein import / fatty acid metabolic process / peroxisome / mitochondrial inner membrane / endoplasmic reticulum / mitochondrion Similarity search - Function | ||||||
Biological species | Mus musculus (house mouse) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Hsiao, Y.S. / Jogl, G. / Tong, L. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2006 Title: Crystal structures of murine carnitine acetyltransferase in ternary complexes with its substrates Authors: Hsiao, Y.-S. / Jogl, G. / Tong, L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2h3p.cif.gz | 284.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2h3p.ent.gz | 224.3 KB | Display | PDB format |
PDBx/mmJSON format | 2h3p.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/h3/2h3p ftp://data.pdbj.org/pub/pdb/validation_reports/h3/2h3p | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 68037.883 Da / Num. of mol.: 2 / Fragment: Residues 30-625 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: Crat / Production host: Escherichia coli (E. coli) / References: UniProt: Q3V1Y3, UniProt: P47934*PLUS #2: Chemical | ChemComp-COA / | #3: Chemical | #4: Chemical | ChemComp-ACO / | #5: 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: 2.56 Å3/Da / Density % sol: 51.98 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 100 mM Tris, 100 mM NaCl, 14% PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X4A / Wavelength: 0.9798 |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Feb 3, 2005 / Details: MIRRORS |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9798 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→30 Å / Num. obs: 65954 / % possible obs: 95.5 % / Redundancy: 3 % / Biso Wilson estimate: 14.6 Å2 / Rmerge(I) obs: 0.04 / Net I/σ(I): 24.7336 |
Reflection shell | Resolution: 2.2→2.28 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.098 / Mean I/σ(I) obs: 8.117 / % possible all: 89.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→29.92 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 493943.12 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 54.0332 Å2 / ksol: 0.339271 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.2→29.92 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.28 Å / Rfactor Rfree error: 0.012 / Total num. of bins used: 10
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Xplor file |
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