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Yorodumi- PDB-1m6w: Binary complex of Human glutathione-dependent formaldehyde dehydr... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1m6w | ||||||
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Title | Binary complex of Human glutathione-dependent formaldehyde dehydrogenase and 12-Hydroxydodecanoic acid | ||||||
Components | Glutathione-dependent formaldehyde dehydrogenase | ||||||
Keywords | OXIDOREDUCTASE / Glutathione-dependent formaldehyde dehydrogenase / Class III alcohol dehydrogenase | ||||||
Function / homology | Function and homology information formaldehyde dehydrogenase activity / S-(hydroxymethyl)glutathione dehydrogenase / S-(hydroxymethyl)glutathione dehydrogenase (NADP+) activity / S-(hydroxymethyl)glutathione dehydrogenase (NAD+) activity / S-(hydroxymethyl)glutathione dehydrogenase (NAD(P)+) activity / fatty acid omega-oxidation / formaldehyde catabolic process / respiratory system process / response to nitrosative stress / Ethanol oxidation ...formaldehyde dehydrogenase activity / S-(hydroxymethyl)glutathione dehydrogenase / S-(hydroxymethyl)glutathione dehydrogenase (NADP+) activity / S-(hydroxymethyl)glutathione dehydrogenase (NAD+) activity / S-(hydroxymethyl)glutathione dehydrogenase (NAD(P)+) activity / fatty acid omega-oxidation / formaldehyde catabolic process / respiratory system process / response to nitrosative stress / Ethanol oxidation / alcohol dehydrogenase (NAD+) activity, zinc-dependent / : / positive regulation of blood pressure / alcohol dehydrogenase / Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor / response to redox state / retinoid metabolic process / fatty acid binding / response to lipopolysaccharide / electron transfer activity / mitochondrion / extracellular exosome / zinc ion binding / identical protein binding / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 2.3 Å | ||||||
Authors | Sanghani, P.C. / Robinson, H. / Bosron, W.F. / Hurley, T.D. | ||||||
Citation | Journal: Biochemistry / Year: 2002 Title: Human glutathione-dependent formaldehyde dehydrogenase. Structures of apo, binary, and inhibitory ternary complexes. Authors: Sanghani, P.C. / Robinson, H. / Bosron, W.F. / Hurley, T.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1m6w.cif.gz | 166 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1m6w.ent.gz | 130.2 KB | Display | PDB format |
PDBx/mmJSON format | 1m6w.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/m6/1m6w ftp://data.pdbj.org/pub/pdb/validation_reports/m6/1m6w | 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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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 39641.000 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: Apoenzyme / Source: (gene. exp.) Homo sapiens (human) / Gene: ADH5 / Plasmid: pKK223-3 / Production host: Escherichia coli (E. coli) / Strain (production host): TG-1 / References: UniProt: P11766, alcohol dehydrogenase |
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-Non-polymers , 5 types, 678 molecules
#2: Chemical | ChemComp-ZN / #3: Chemical | #4: Chemical | #5: Chemical | #6: 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: 3.02 Å3/Da / Density % sol: 59.21 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 7.1 Details: PEG 8000, Potassium phosphate, zinc sulphate, Dithiothreitol, pH 7.1, VAPOR DIFFUSION, SITTING DROP at 277K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / PH range low: 7.1 / PH range high: 6.9 | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X12B / Wavelength: 1.2667, 1.2827, 1.2837 | ||||||||||||
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: May 24, 2001 | ||||||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||
Radiation wavelength |
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Reflection | Resolution: 2.3→20 Å / Num. all: 44550 / Num. obs: 43971 / % possible obs: 98.9 % / Observed criterion σ(I): -3 / Redundancy: 23.6 % / Biso Wilson estimate: 16.6 Å2 / Rmerge(I) obs: 0.092 / Net I/σ(I): 37.4 | ||||||||||||
Reflection shell | Resolution: 2.3→2.38 Å / Redundancy: 10.4 % / Rmerge(I) obs: 0.288 / Mean I/σ(I) obs: 7.5 / Num. unique all: 3959 / % possible all: 90.6 | ||||||||||||
Reflection | *PLUS Rmerge(I) obs: 0.092 | ||||||||||||
Reflection shell | *PLUS Rmerge(I) obs: 0.288 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 2.3→20 Å / Rfactor Rfree error: 0.005 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 35.5362 Å2 / ksol: 0.353865 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.4 Å2 | ||||||||||||||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.3→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.38 Å / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS Rfactor all: 0.1929 / Rfactor obs: 0.191 / Rfactor Rfree: 0.226 / Rfactor Rwork: 0.192 | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.25 / Rfactor Rwork: 0.2031 |