+Open data
-Basic information
Entry | Database: PDB / ID: 4ae7 | ||||||
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Title | Crystal structure of human THEM5 | ||||||
Components | THIOESTERASE SUPERFAMILY MEMBER 5 | ||||||
Keywords | HYDROLASE / HOTDOG-FOLD | ||||||
Function / homology | Function and homology information cardiolipin acyl-chain remodeling / long-chain fatty-acyl-CoA metabolic process / : / : / palmitoyl-CoA hydrolase / acyl-CoA metabolic process / Mitochondrial Fatty Acid Beta-Oxidation / fatty acid metabolic process / mitochondrial matrix Similarity search - Function | ||||||
Biological species | HOMO SAPIENS (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.45 Å | ||||||
Authors | Zhuravleva, E. / Gut, H. / Hynx, D. / Marcellin, D. / Bleck, C.K.E. / Genoud, C. / Cron, P. / Keusch, J.J. / Dummler, B. / Degli Esposti, M. / Hemmings, B.A. | ||||||
Citation | Journal: Mol.Cell.Biol. / Year: 2012 Title: Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development. Authors: Zhuravleva, E. / Gut, H. / Hynx, D. / Marcellin, D. / Bleck, C.K.E. / Genoud, C. / Cron, P. / Keusch, J.J. / Dummler, B. / Esposti, M.D. / Hemmings, B.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4ae7.cif.gz | 95.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4ae7.ent.gz | 72.9 KB | Display | PDB format |
PDBx/mmJSON format | 4ae7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ae/4ae7 ftp://data.pdbj.org/pub/pdb/validation_reports/ae/4ae7 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 24535.949 Da / Num. of mol.: 1 / Fragment: RESIDUES 35-247 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / Variant (production host): ROSETTA 2 / References: UniProt: Q8N1Q8 |
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#2: Water | ChemComp-HOH / |
Sequence details | L206V, CORRESPOND |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 51 % / Description: NONE |
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Crystal grow | Details: 10% PEG 3000, 0.2 M NACL, 0.1 M PHOSPHATE-CITRATE PH 4.2 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1 |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Details: MIRRORS |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.45→30 Å / Num. obs: 70847 / % possible obs: 96.8 % / Observed criterion σ(I): -3 / Redundancy: 2.1 % / Biso Wilson estimate: 16.07 Å2 / Rmerge(I) obs: 0.03 / Net I/σ(I): 17.1 |
Reflection shell | Resolution: 1.45→1.49 Å / Redundancy: 2.1 % / Rmerge(I) obs: 0.37 / Mean I/σ(I) obs: 2.1 / % possible all: 96.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.45→27.519 Å / SU ML: 0.3 / σ(F): 1.25 / Phase error: 14.54 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 55.437 Å2 / ksol: 0.42 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.5 Å2
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Refinement step | Cycle: LAST / Resolution: 1.45→27.519 Å
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Refine LS restraints |
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LS refinement shell |
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