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- PDB-4ep9: CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMP... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4ep9 | ||||||
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Title | CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH CoA-site inhibitor | ||||||
![]() | Carnitine O-palmitoyltransferase 2, mitochondrial | ||||||
![]() | TRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE / ACYLTRANSFERASE / MITOCHONDRIAL PROTEIN / CoA / acylcarnitine / mitochondrial inner membrane / LIPID TRANSPORT / TRANSFERASE-TRANSFERASE INHIBITOR complex | ||||||
Function / homology | ![]() carnitine O-palmitoyltransferase / carnitine O-palmitoyltransferase activity / Carnitine metabolism / carnitine O-octanoyltransferase activity / carnitine metabolic process / long-chain fatty acid metabolic process / response to fatty acid / acyltransferase activity / fatty acid beta-oxidation / long-chain fatty acid transport ...carnitine O-palmitoyltransferase / carnitine O-palmitoyltransferase activity / Carnitine metabolism / carnitine O-octanoyltransferase activity / carnitine metabolic process / long-chain fatty acid metabolic process / response to fatty acid / acyltransferase activity / fatty acid beta-oxidation / long-chain fatty acid transport / positive regulation of cold-induced thermogenesis / in utero embryonic development / mitochondrial inner membrane / mitochondrion Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Rufer, A.C. / Thoma, R. / Benz, J. / Stihle, M. / Gsell, B. / De Roo, E. / Banner, D.W. / Mueller, F. / Chomienne, O. / Hennig, M. | ||||||
![]() | ![]() Title: Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein. Authors: Perspicace, S. / Rufer, A.C. / Thoma, R. / Mueller, F. / Hennig, M. / Ceccarelli, S. / Schulz-Gasch, T. / Seelig, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 150.3 KB | Display | ![]() |
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PDB format | ![]() | 114.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 857.1 KB | Display | ![]() |
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Full document | ![]() | 866.2 KB | Display | |
Data in XML | ![]() | 28.3 KB | Display | |
Data in CIF | ![]() | 42 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4ephC ![]() 4eywC ![]() 2debS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 73566.094 Da / Num. of mol.: 1 / Fragment: Carnitine O-palmitoyltransferase 2, mitochondrial Source method: isolated from a genetically manipulated source Details: pET28a_rCPT-2_27-658 / Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P18886, carnitine O-palmitoyltransferase |
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#2: Chemical | ChemComp-0RD / |
#3: Chemical | ChemComp-PLM / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.39 Å3/Da / Density % sol: 48.57 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: Hampton Index #76 0.2 M lithium sulfate monohydrate, 0.1 M HEPES pH 7.5, 25 % (w/v) polyethylene glycol 3,350 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 80 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Dec 13, 2005 |
Radiation | Monochromator: LN2 COOLED FIXED-EXIT SI(111) MONOCHROMATOR (19.65M, FOCUSING SAGITTAL-HORIZONTAL) BENDABLE MIRROR (20.50 M FOCUSING MERIDIONAL-VERTICAL) Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97955 Å / Relative weight: 1 |
Reflection | Resolution: 2.03→19.7 Å / Num. all: 47020 / % possible obs: 98.4 % / Observed criterion σ(I): 3.42 |
Reflection shell | Resolution: 2.03→2.15 Å / % possible all: 91.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2DEB Resolution: 2.03→19.7 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.898 / SU B: 4.311 / SU ML: 0.12 / Cross valid method: THROUGHOUT / ESU R: 0.18 / ESU R Free: 0.175 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.734 Å2
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Refinement step | Cycle: LAST / Resolution: 2.03→19.7 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.03→2.08 Å / Total num. of bins used: 20
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