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- PDB-3oif: Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtil... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3oif | ||||||
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Title | Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and TCL) | ||||||
![]() | Enoyl-[acyl-carrier-protein] reductase [NADH] | ||||||
![]() | OXIDOREDUCTASE / Fatty acid synthesis / Rossmann-like fold / Enoyl-ACP Reductases / NADH binding | ||||||
Function / homology | ![]() fatty acid elongation / enoyl-[acyl-carrier-protein] reductase (NADH) / cellular response to cold / enoyl-[acyl-carrier-protein] reductase (NADH) activity Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kim, K.-H. / Ha, B.H. / Kim, S.J. / Hong, S.K. / Hwang, K.Y. / Kim, E.E. | ||||||
![]() | ![]() Title: Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis Authors: Kim, K.-H. / Ha, B.H. / Kim, S.J. / Hong, S.K. / Hwang, K.Y. / 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 | ![]() | 196.9 KB | Display | ![]() |
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PDB format | ![]() | 159.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.5 MB | Display | ![]() |
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Full document | ![]() | 1.5 MB | Display | |
Data in XML | ![]() | 39.8 KB | Display | |
Data in CIF | ![]() | 53.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3oicC ![]() 3oidC ![]() 3oigC ![]() 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: 28976.879 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P54616, enoyl-[acyl-carrier-protein] reductase (NADH) #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: 2.35 Å3/Da / Density % sol: 47.75 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 0.2M di-ammonium tartrate, 20% (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: Bruker Proteum 300 / Detector: CCD / Date: Nov 15, 2005 / Details: mirrors |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.12174 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→30 Å / Num. obs: 34401 / % possible obs: 96 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 2.5 % / Rmerge(I) obs: 0.108 / Net I/σ(I): 13.2 / Num. measured all: 623716 |
Reflection shell | Resolution: 2.6→2.69 Å / Redundancy: 2.1 % / Rmerge(I) obs: 0.283 / Mean I/σ(I) obs: 1.77 / % possible all: 91.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1C14 Resolution: 2.6→29.98 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.891 / SU B: 12.664 / SU ML: 0.27 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.37 / 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: 49.041 Å2
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Refinement step | Cycle: LAST / Resolution: 2.6→29.98 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.604→2.672 Å / Total num. of bins used: 20
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