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- PDB-4nqz: Crystal Structure of the Pseudomonas aeruginosa Enoyl-Acyl Carrie... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4nqz | ||||||
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Title | Crystal Structure of the Pseudomonas aeruginosa Enoyl-Acyl Carrier Protein Reductase (FabI) in apo form | ||||||
![]() | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | ||||||
![]() | OXIDOREDUCTASE / Rossmann fold motif / reductase / cytosol | ||||||
Function / homology | ![]() enoyl-[acyl-carrier-protein] reductase activity (NAD(P)H) / fatty acid elongation / enoyl-[acyl-carrier-protein] reductase (NADH) / enoyl-[acyl-carrier-protein] reductase (NADH) activity / identical protein binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Chi, Y.M. / Lee, J.H. / Park, A.K. | ||||||
![]() | ![]() Title: Crystal Structures of Pseudomonas aeruginosa Enoyl-ACP Reductase (FabI) in the Presence and Absence of NAD+ and Triclosan Authors: Lee, J.H. / Park, A.K. / Chi, Y.M. / Jeong, S.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 707.7 KB | Display | ![]() |
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PDB format | ![]() | 586.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4nr0C ![]() 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: 29106.936 Da / Num. of mol.: 16 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q9ZFE4, enoyl-[acyl-carrier-protein] reductase (NADH) #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.37 Å3/Da / Density % sol: 48.13 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 5 Details: 6% tacsimate, 8% PEG 3350, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Dec 10, 2009 |
Radiation | Monochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→50 Å / Num. all: 132518 / Num. obs: 112296 / % possible obs: 84.74 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Biso Wilson estimate: 37.74 Å2 |
Reflection shell | Resolution: 2.6→2.64 Å / % possible all: 67.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1c14 Resolution: 2.604→44.394 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.7723 / SU ML: 0.56 / σ(F): 1.48 / Phase error: 31.71 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 109.83 Å2 / Biso mean: 40.21 Å2 / Biso min: 12.27 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.604→44.394 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30
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