+Open data
-Basic information
Entry | Database: PDB / ID: 3wwe | ||||||
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Title | The complex of pOPH with PEG | ||||||
Components | Oxidized polyvinyl alcohol hydrolase | ||||||
Keywords | HYDROLASE / tryptophan / disulfide bridge / p-nitrophenyl esters | ||||||
Function / homology | beta-diketone hydrolase / beta-diketone hydrolase activity / Alpha/Beta hydrolase fold, catalytic domain / Alpha/Beta hydrolase fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / 2-(2-ETHOXYETHOXY)ETHANOL / Oxidized polyvinyl alcohol hydrolase Function and homology information | ||||||
Biological species | Pseudomonas sp. VM15C (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å | ||||||
Authors | Yang, Y. / Ko, T.P. / Li, J.H. / Liu, L. / Huang, C.H. / Chen, J. / Guo, R.T. / Du, G.C. | ||||||
Citation | Journal: Biochem.Biophys.Res.Commun. / Year: 2014 Title: Roles of tryptophan residue and disulfide bond in the variable lid region of oxidized polyvinyl alcohol hydrolase Authors: Yang, Y. / Ko, T.P. / Liu, L. / Li, J. / Huang, C.H. / Chen, J. / Guo, R.T. / Du, G. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3wwe.cif.gz | 88.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3wwe.ent.gz | 64.1 KB | Display | PDB format |
PDBx/mmJSON format | 3wwe.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ww/3wwe ftp://data.pdbj.org/pub/pdb/validation_reports/ww/3wwe | HTTPS FTP |
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-Related structure data
Related structure data | 3wwcC 3wwdC 3wl6S C: citing same article (ref.) S: Starting model for refinement |
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Similar 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: 39264.727 Da / Num. of mol.: 1 / Fragment: UNP residues 30-379 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas sp. VM15C (bacteria) / Gene: pvaB / Plasmid: pET32a / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9LCQ7, beta-diketone hydrolase |
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#2: Chemical | ChemComp-AE3 / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.06 Å3/Da / Density % sol: 40.16 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 30% PEG MME 5000, MES pH 6.5, 0.2M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL13B1 / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Apr 4, 2013 |
Radiation | Monochromator: SI 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→25 Å / Num. all: 19476 / Num. obs: 19106 / % possible obs: 97.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 3 / Redundancy: 6.1 % / Rmerge(I) obs: 0.078 / Net I/σ(I): 25.5 |
Reflection shell | Resolution: 2.1→2.18 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.267 / Mean I/σ(I) obs: 4.3 / Num. unique all: 1656 / % possible all: 86.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3WL6 Resolution: 2.1→25 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Bsol: 32.0491 Å2 | ||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.4264 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.1→25 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.1→2.18 Å
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Xplor file |
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