+Open data
-Basic information
Entry | Database: PDB / ID: 8goy | ||||||
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Title | SulE P44R | ||||||
Components | Alpha/beta fold hydrolase | ||||||
Keywords | HYDROLASE / SulE P44R | ||||||
Function / homology | Function and homology information Hydrolases; Acting on ester bonds; Carboxylic-ester hydrolases / hydrolase activity Similarity search - Function | ||||||
Biological species | Hansschlegelia zhihuaiae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.784 Å | ||||||
Authors | Liu, B. / He, J. / Ran, T. / Wang, W. | ||||||
Funding support | China, 1items
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Citation | Journal: Nat Commun / Year: 2023 Title: Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Authors: Liu, B. / Wang, W. / Qiu, J. / Huang, X. / Qiu, S. / Bao, Y. / Xu, S. / Ruan, L. / Ran, T. / He, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8goy.cif.gz | 164.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8goy.ent.gz | 126.7 KB | Display | PDB format |
PDBx/mmJSON format | 8goy.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8goy_validation.pdf.gz | 811.6 KB | Display | wwPDB validaton report |
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Full document | 8goy_full_validation.pdf.gz | 818.5 KB | Display | |
Data in XML | 8goy_validation.xml.gz | 32.3 KB | Display | |
Data in CIF | 8goy_validation.cif.gz | 48.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/go/8goy ftp://data.pdbj.org/pub/pdb/validation_reports/go/8goy | HTTPS FTP |
-Related structure data
Related structure data | 7y0lC 7yd2C 8golC 8gp0C 8iveC 8ivmC 8ivnC 8ivsC 8ivtC 8iw3C 8iw6C 8j7gC 8j7jC 8j7kC 4q34S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 41235.379 Da / Num. of mol.: 2 / Mutation: P44R Source method: isolated from a genetically manipulated source Source: (gene. exp.) Hansschlegelia zhihuaiae (bacteria) / Gene: EK403_17710 / Production host: Escherichia coli (E. coli) References: UniProt: G9I933, Hydrolases; Acting on ester bonds; Carboxylic-ester hydrolases #2: Chemical | ChemComp-GOL / #3: Chemical | ChemComp-JV6 / | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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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: 2.47 Å3/Da / Density % sol: 50.23 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / Details: PEG 4000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL18U1 / Wavelength: 0.9791 Å |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Sep 30, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9791 Å / Relative weight: 1 |
Reflection | Resolution: 1.78→47.31 Å / Num. obs: 74840 / % possible obs: 98.3 % / Redundancy: 6.3 % / CC1/2: 0.997 / Net I/σ(I): 11.7 |
Reflection shell | Resolution: 1.78→1.82 Å / Num. unique obs: 3200 / CC1/2: 0.572 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4Q34 Resolution: 1.784→47.31 Å / Cross valid method: FREE R-VALUE Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Displacement parameters | Biso mean: 19.42 Å2 | ||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.784→47.31 Å
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Refine LS restraints |
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