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Yorodumi- PDB-1q7b: The structure of betaketoacyl-[ACP] reductase from E. coli in com... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1q7b | ||||||
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Title | The structure of betaketoacyl-[ACP] reductase from E. coli in complex with NADP+ | ||||||
Components | 3-oxoacyl-[acyl-carrier protein] reductase | ||||||
Keywords | OXIDOREDUCTASE / oxoacyl reductase / NADP+ / crystal structure | ||||||
Function / homology | Function and homology information biotin biosynthetic process / 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity / fatty acid elongation / oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor / lipid biosynthetic process / fatty acid biosynthetic process / NAD binding / NADP binding / identical protein binding ...biotin biosynthetic process / 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity / fatty acid elongation / oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor / lipid biosynthetic process / fatty acid biosynthetic process / NAD binding / NADP binding / identical protein binding / metal ion binding / cytosol Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.05 Å | ||||||
Authors | Price, A.C. / Zhang, Y.-M. / Rock, C.O. / White, S.M. | ||||||
Citation | Journal: Structure / Year: 2004 Title: Cofactor-Induced Conformational Rearrangements Establish a Catalytically Competent Active Site and a Proton Relay Conduit in FabG Authors: Price, A.C. / Zhang, Y.-M. / Rock, C.O. / White, S.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1q7b.cif.gz | 201.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1q7b.ent.gz | 161 KB | Display | PDB format |
PDBx/mmJSON format | 1q7b.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q7/1q7b ftp://data.pdbj.org/pub/pdb/validation_reports/q7/1q7b | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Details | The biological unit is the tetramer formed by chains A, B, C, and D. |
-Components
#1: Protein | Mass: 25587.277 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli) References: UniProt: P25716, UniProt: P0AEK2*PLUS, 3-oxoacyl-[acyl-carrier-protein] reductase #2: Chemical | ChemComp-CA / #3: Chemical | ChemComp-NAP / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.38 Å3/Da / Density % sol: 48 % | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, hanging drop / Details: VAPOR DIFFUSION, HANGING DROP | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.6 / Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: ENRAF-NONIUS FR571 / Wavelength: 1.5418 Å |
Detector | Type: MACSCIENCE / Detector: IMAGE PLATE / Date: Jan 1, 2002 |
Radiation | Monochromator: Osmic mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→20 Å / Num. all: 64081 / Num. obs: 64081 / % possible obs: 95.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 2.05→2.09 Å / % possible all: 90.9 |
Reflection | *PLUS Redundancy: 2.8 % / Num. measured all: 306191 / Rmerge(I) obs: 0.044 |
Reflection shell | *PLUS % possible obs: 90.9 % / Redundancy: 2.5 % / Num. unique obs: 2888 / Rmerge(I) obs: 0.356 / Mean I/σ(I) obs: 2.26 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.05→20 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.05→20 Å
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Refine LS restraints |
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Refinement | *PLUS Rfactor Rwork: 0.2 | ||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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