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Open data
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Basic information
Entry | Database: PDB / ID: 7krm | ||||||
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Title | Putative FabG bound to NADH from Acinetobacter baumannii | ||||||
![]() | 3-oxoacyl-[acyl-carrier-protein] reductase | ||||||
![]() | OXIDOREDUCTASE / FabG / Acinetobacter baumannii / enzyme | ||||||
Function / homology | ![]() glucose 1-dehydrogenase [NAD(P)+] / glucose 1-dehydrogenase [NAD(P)+] activity / 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Shaw, K.I. / Smith, K.M. / Cross, E.M. | ||||||
![]() | ![]() Title: Putative FabG bound to NADH from Acinetobacter baumannii Authors: Forwood, J.K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 436.2 KB | Display | ![]() |
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PDB format | ![]() | 292.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.6 MB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 42.5 KB | Display | |
Data in CIF | ![]() | 61.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7krkS 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: 25861.596 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: fabG_1, ABC003_00909, ABUW_2930, DLI69_07500, EA686_12865, FDO31_05475, GNY86_08660 Production host: ![]() ![]() References: UniProt: A0A077GFB1, glucose 1-dehydrogenase [NAD(P)+] #2: Chemical | ChemComp-NAD / #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.41 Å3/Da / Density % sol: 49.04 % |
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Crystal grow | Temperature: 296 K / Method: vapor diffusion, hanging drop Details: 0.1 M sodium acetate trihydrate, pH 4.6, 2 M sodium formate |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 19, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9537 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→29.91 Å / Num. obs: 76202 / % possible obs: 99.9 % / Redundancy: 4.3 % / Biso Wilson estimate: 16.87 Å2 / CC1/2: 0.997 / Net I/σ(I): 12.2 |
Reflection shell | Resolution: 1.9→1.94 Å / Num. unique obs: 4540 / CC1/2: 0.918 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 7KRK Resolution: 1.9→29.91 Å / SU ML: 0.1533 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 16.3282 / Stereochemistry target values: CDL v1.2
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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 mean: 20.42 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→29.91 Å
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Refine LS restraints |
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LS refinement shell |
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