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- PDB-3ojf: Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Prote... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3ojf | ||||||
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Title | Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+ and indole naphthyridinone (Complex form) | ||||||
![]() | Enoyl-[acyl-carrier-protein] reductase (FabL) (NADPH) | ||||||
![]() | OXIDOREDUCTASE / Enoyl-ACP reductase / Tetramer / Rossmann fold / NAD(P) binding | ||||||
Function / homology | ![]() : / fatty acid elongation / enoyl-[acyl-carrier-protein] reductase (NADH) / NADP+ binding / enoyl-[acyl-carrier-protein] reductase (NADH) activity / catalytic complex / small molecule binding / identical protein binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kim, S.J. / Ha, B.H. / Kim, K.H. / Hong, S.K. / Suh, S.W. / Kim, E.E. | ||||||
![]() | ![]() Title: Dimeric and tetrameric forms of enoyl-acyl carrier protein reductase from Bacillus cereus Authors: Kim, S.J. / Ha, B.H. / Kim, K.H. / Hong, S.K. / Shin, K.J. / Suh, S.W. / Kim, E.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 215.5 KB | Display | ![]() |
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PDB format | ![]() | 176 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.7 MB | Display | ![]() |
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Full document | ![]() | 2.7 MB | Display | |
Data in XML | ![]() | 47.9 KB | Display | |
Data in CIF | ![]() | 63.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3ojeC ![]() 1c14S C: citing same article ( S: Starting model for refinement |
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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: 27885.584 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q81GI3, enoyl-[acyl-carrier-protein] reductase (NADH) #2: Chemical | ChemComp-IMJ / ( #3: Chemical | ChemComp-NDP / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.7 Å3/Da / Density % sol: 54.51 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: 0.1M sodium citrate, 8% PEG 10000, 0.4M magnesium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Oct 21, 2006 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.12174 Å / Relative weight: 1 |
Reflection | Resolution: 2.196→30 Å / Num. obs: 62536 / % possible obs: 96 % / Redundancy: 4.6 % / Rmerge(I) obs: 0.078 / Net I/σ(I): 17.1 / Num. measured all: 1090014 |
Reflection shell | Resolution: 2.196→2.28 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.236 / Mean I/σ(I) obs: 2.4 / % possible all: 91 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1C14 Resolution: 2.2→29.59 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.93 / SU B: 5.055 / SU ML: 0.129 / Cross valid method: THROUGHOUT / ESU R Free: 0.196 / 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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 37.997 Å2
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Refinement step | Cycle: LAST / Resolution: 2.2→29.59 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.196→2.253 Å / Total num. of bins used: 20
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