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Yorodumi- PDB-1mo9: NADPH DEPENDENT 2-KETOPROPYL COENZYME M OXIDOREDUCTASE/CARBOXYLAS... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1mo9 | ||||||
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Title | NADPH DEPENDENT 2-KETOPROPYL COENZYME M OXIDOREDUCTASE/CARBOXYLASE COMPLEXED WITH 2-KETOPROPYL COENZYME M | ||||||
Components | orf3 | ||||||
Keywords | OXIDOREDUCTASE / Nucleotide binding motifs / Nucleotide binding domain | ||||||
Function / homology | Function and homology information 2-oxopropyl-CoM reductase (carboxylating) / 2-oxopropyl-CoM reductase (carboxylating) activity / propylene catabolic process / flavin adenine dinucleotide binding Similarity search - Function | ||||||
Biological species | Xanthobacter autotrophicus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MIRAS / Resolution: 1.65 Å | ||||||
Authors | Nocek, B. / Jang, S.B. / Jeong, M.S. / Clark, D.D. / Ensign, S.A. / Peters, J.W. | ||||||
Citation | Journal: Biochemistry / Year: 2002 Title: Structural Basis for CO2 Fixation by a Novel Member of the Disulfide Oxidoreductase Family of Enzymes, 2-Ketopropyl Coenzyme M Oxidoreductase/Carboxylase Authors: Nocek, B. / Jang, S.B. / Jeong, M.S. / Clark, D.D. / Ensign, S.A. / Peters, J.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1mo9.cif.gz | 229.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1mo9.ent.gz | 189.7 KB | Display | PDB format |
PDBx/mmJSON format | 1mo9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mo/1mo9 ftp://data.pdbj.org/pub/pdb/validation_reports/mo/1mo9 | 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
#1: Protein | Mass: 57414.348 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Xanthobacter autotrophicus (bacteria) / Strain: Py2 References: UniProt: Q56839, 2-oxopropyl-CoM reductase (carboxylating) #2: Chemical | #3: Chemical | #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: 2.37 Å3/Da / Density % sol: 48.18 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.17M ammonium acetate, 0.085M Tris-HCl ph 8.5 25.5% polyethylene glycol 4000, 15% glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 5.6 / Details: Jang, S.B., (2001) Acta Crystallogr., D57, 445. | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 93 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL9-1 / Wavelength: 0.78 Å |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Feb 19, 2000 / Details: flat mirrors |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.78 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→20 Å / Num. all: 129754 / Num. obs: 129754 / Observed criterion σ(I): 0 |
Reflection | *PLUS Highest resolution: 1.64 Å / Num. obs: 164972 / % possible obs: 98.2 % / Num. measured all: 504165 / Rmerge(I) obs: 0.067 |
-Processing
Software |
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Refinement | Method to determine structure: MIRAS / Resolution: 1.65→19.92 Å / Isotropic thermal model: Restrained / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 19 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.65→19.92 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.65→1.75 Å / Rfactor Rfree error: 0.08
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Refinement | *PLUS Lowest resolution: 20 Å / Rfactor Rwork: 0.187 | |||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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