+Open data
-Basic information
Entry | Database: PDB / ID: 1h0k | ||||||
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Title | Enoyl thioester reductase 2 | ||||||
Components | 2,4-DIENOYL-COA REDUCTASE | ||||||
Keywords | OXIDOREDUCTASE | ||||||
Function / homology | Function and homology information enoyl-[acyl-carrier-protein] reductase (NADPH) / trans-2-enoyl-CoA reductase (NADPH) activity / fatty acid metabolic process / fatty acid biosynthetic process / mitochondrion Similarity search - Function | ||||||
Biological species | CANDIDA TROPICALIS (yeast) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.11 Å | ||||||
Authors | Airenne, T.T. / Torkko, J.M. / Hiltunen, J.K. | ||||||
Citation | Journal: To be Published Title: Crystal Structure of Enoyl Thioester Reductase 2 Authors: Airenne, T.T. / Torkko, J.M. / Hiltunen, J.K. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1h0k.cif.gz | 166.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1h0k.ent.gz | 132.1 KB | Display | PDB format |
PDBx/mmJSON format | 1h0k.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/h0/1h0k ftp://data.pdbj.org/pub/pdb/validation_reports/h0/1h0k | HTTPS FTP |
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-Related structure data
Related structure data | 1gu7S 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: (-0.4742, 0.691, -0.5456), Vector: |
-Components
#1: Protein | Mass: 39511.391 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) CANDIDA TROPICALIS (yeast) / Strain: PK233 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast) / Strain (production host): BJ1991 References: UniProt: Q8WZM4, EC: 1.3.1.10, trans-2-enoyl-CoA reductase (NADPH) #2: Chemical | ChemComp-GOL / #3: Chemical | ChemComp-SO4 / #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: 3.35 Å3/Da / Density % sol: 63.31 % |
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Crystal grow | pH: 7 / Details: pH 7.00 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.9784 |
Detector | Type: ADSC CCD / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9784 Å / Relative weight: 1 |
Reflection | Resolution: 2.11→25 Å / Num. obs: 57393 / % possible obs: 95.6 % / Redundancy: 3.5 % / Rmerge(I) obs: 0.036 / Net I/σ(I): 22 |
Reflection shell | Resolution: 2.11→2.6 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.056 / Mean I/σ(I) obs: 15.4 / % possible all: 91.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1GU7 Resolution: 2.11→23.38 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.942 / SU B: 3.188 / SU ML: 0.086 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.152 / ESU R Free: 0.141 / 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: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18 Å2
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Refinement step | Cycle: LAST / Resolution: 2.11→23.38 Å
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Refine LS restraints |
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