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Open data
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Basic information
Entry | Database: PDB / ID: 1w6u | ||||||
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Title | Structure of human DECR ternary complex | ||||||
![]() | 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR | ||||||
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Function / homology | ![]() 2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing] / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Alphey, M.S. / Byres, E. / Li, D. / Hunter, W.N. | ||||||
![]() | ![]() Title: Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site Authors: Alphey, M.S. / Yu, W. / Byres, E. / Li, D. / Hunter, W.N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 244.6 KB | Display | ![]() |
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PDB format | ![]() | 197.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
#1: Protein | Mass: 32315.086 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: COFACTOR (N) NADP SUBSTRATE (S) 2,4-HEXADIENOYL-COA Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() References: UniProt: Q16698, 2,4-dienoyl-CoA reductase [(2E)-enoyl-CoA-producing] #2: Chemical | ChemComp-NAP / ![]() #3: Chemical | ChemComp-HXC / #4: Water | ChemComp-HOH / | ![]() Compound details | CATALYTIC ACTIVITY: TRANS-2,3-DIDEHYDROA | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44 % |
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Crystal grow![]() | pH: 7.4 / Details: pH 7.40 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Apr 7, 2004 / Details: TOROIDAL MIRROR |
Radiation | Monochromator: DOUBLE CRYSTAL, SI(111) OR SI(311) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.75→30 Å / Num. obs: 110749 / % possible obs: 95.5 % / Observed criterion σ(I): 2 / Redundancy: 3.6 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 23.1 |
Reflection shell | Resolution: 1.75→1.81 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.59 / Mean I/σ(I) obs: 2.2 / % possible all: 90.8 |
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Processing
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Refinement | Method to determine structure![]()
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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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 35.29 Å2
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Refinement step | Cycle: LAST / Resolution: 1.75→70.71 Å
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Refine LS restraints |
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