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Yorodumi- PDB-1qay: TERNARY COMPLEX OF PSEUDOMONAS MEVALONII HMG-COA REDUCTASE WITH M... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1qay | ||||||
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Title | TERNARY COMPLEX OF PSEUDOMONAS MEVALONII HMG-COA REDUCTASE WITH MEVALONATE AND NAD+ | ||||||
Components | PROTEIN (3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE) | ||||||
Keywords | OXIDOREDUCTASE / 4-ELECTRON OXIDO-REDUCTASE | ||||||
Function / homology | Function and homology information hydroxymethylglutaryl-CoA reductase / hydroxymethylglutaryl-CoA reductase (NADH) activity / hydroxymethylglutaryl-CoA reductase (NADPH) activity / coenzyme A metabolic process Similarity search - Function | ||||||
Biological species | Pseudomonas mevalonii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.8 Å | ||||||
Authors | Tabernero, L. / Bochar, D.A. / Rodwell, V.W. / Stauffacher, C.V. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 1999 Title: Substrate-induced closure of the flap domain in the ternary complex structures provides insights into the mechanism of catalysis by 3-hydroxy-3-methylglutaryl-CoA reductase. Authors: Tabernero, L. / Bochar, D.A. / Rodwell, V.W. / Stauffacher, C.V. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1qay.cif.gz | 152 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1qay.ent.gz | 119.7 KB | Display | PDB format |
PDBx/mmJSON format | 1qay.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1qay_validation.pdf.gz | 487.9 KB | Display | wwPDB validaton report |
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Full document | 1qay_full_validation.pdf.gz | 501.9 KB | Display | |
Data in XML | 1qay_validation.xml.gz | 17.8 KB | Display | |
Data in CIF | 1qay_validation.cif.gz | 26.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qa/1qay ftp://data.pdbj.org/pub/pdb/validation_reports/qa/1qay | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 45641.242 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas mevalonii (bacteria) / Gene: MVAA / Production host: Escherichia coli (E. coli) / References: UniProt: P13702 #2: Chemical | ChemComp-MEV / ( | #3: Chemical | ChemComp-NAD / | #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: 2.72 Å3/Da / Density % sol: 54.81 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 6.7 Details: VAPOR DIFFUSION, 295K, PH 6.7, 1.2M AMMONIUM SULFATE, 100MM ADA BUFFER | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8.2 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 295 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.54 |
Detector | Type: RIGAKU RAXIS II / Detector: IMAGE PLATE / Date: Jan 1, 1997 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→25 Å / Num. obs: 23498 / % possible obs: 93.1 % / Observed criterion σ(I): 0 / Redundancy: 3 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 15 |
Reflection shell | Resolution: 2.8→2.9 Å / Redundancy: 1.5 % / Rmerge(I) obs: 0.29 / % possible all: 73.4 |
Reflection shell | *PLUS % possible obs: 73.4 % |
-Processing
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Refinement | Resolution: 2.8→8 Å
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Refinement step | Cycle: LAST / Resolution: 2.8→8 Å
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Refine LS restraints |
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