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- PDB-2wyu: High resolution structure of Thermus thermophilus enoyl-acyl carr... -
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Basic information
Entry | Database: PDB / ID: 2wyu | ||||||
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Title | High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase apo-form | ||||||
![]() | ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE | ||||||
![]() | OXIDOREDUCTASE / FATTY ACID BIOSYNTHESIS / OXIDATION REDUCTION | ||||||
Function / homology | ![]() enoyl-[acyl-carrier-protein] reductase (NADH) / enoyl-[acyl-carrier-protein] reductase (NADH) activity / fatty acid biosynthetic process / nucleotide binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Otero, J.M. / Noel, A.J. / Guardado-Calvo, P. / Llamas-Saiz, A.L. / van Raaij, M.J. | ||||||
![]() | ![]() Year: 2012 Title: High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan. Authors: Otero, J.M. / Noel, A.J. / Guardado-Calvo, P. / Llamas-Saiz, A.L. / Wende, W. / Schierling, B. / Pingoud, A. / van Raaij, M.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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PDBx/mmCIF format | ![]() | 223.1 KB | Display | ![]() |
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PDB format | ![]() | 178.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 460.6 KB | Display | ![]() |
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Full document | ![]() | 466.5 KB | Display | |
Data in XML | ![]() | 47.2 KB | Display | |
Data in CIF | ![]() | 71.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2wyvC ![]() 2wywC ![]() 1uluS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 28141.432 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Description: THERMUS THERMOPHILUS DNA OBTAINED FROM PROF. WOLFGANG LIEBL, GOETTINGEN. Plasmid: PET30A / Production host: ![]() ![]() #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44.7 % / Description: NONE |
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Crystal grow | pH: 5.4 Details: 20% (W/V) POLYETHYLENE GLYCOL 4000, 100 MM SODIUM CITRATE AT PH 5.4 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Jul 19, 2008 / Details: TOROIDAL FOCUSING MIRROR |
Radiation | Monochromator: SINGLE SILICON (111) MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.939 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→15 Å / Num. obs: 151147 / % possible obs: 96.4 % / Observed criterion σ(I): 0 / Redundancy: 2.9 % / Biso Wilson estimate: 18.9 Å2 / Rmerge(I) obs: 0.06 / Net I/σ(I): 8.7 |
Reflection shell | Resolution: 1.5→1.58 Å / Redundancy: 2.3 % / Rmerge(I) obs: 0.3 / Mean I/σ(I) obs: 2 / % possible all: 83.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1ULU Resolution: 1.5→14.96 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.955 / SU B: 1.663 / SU ML: 0.059 / Cross valid method: THROUGHOUT / ESU R: 0.071 / ESU R Free: 0.073 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY.
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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: 17.282 Å2
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Refinement step | Cycle: LAST / Resolution: 1.5→14.96 Å
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Refine LS restraints |
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