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Open data
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Basic information
Entry | Database: PDB / ID: 8goy | ||||||
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Title | SulE P44R | ||||||
![]() | Alpha/beta fold hydrolase | ||||||
![]() | HYDROLASE / SulE P44R | ||||||
Function / homology | ![]() Hydrolases; Acting on ester bonds; Carboxylic-ester hydrolases / hydrolase activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Liu, B. / He, J. / Ran, T. / Wang, W. | ||||||
Funding support | ![]()
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![]() | ![]() 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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 164.2 KB | Display | ![]() |
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PDB format | ![]() | 126.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 811.6 KB | Display | ![]() |
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Full document | ![]() | 818.5 KB | Display | |
Data in XML | ![]() | 32.3 KB | Display | |
Data in CIF | ![]() | 48.4 KB | Display | |
Arichive directory | ![]() ![]() | 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 ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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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.) ![]() ![]() ![]() 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: ![]() |
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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: ![]() ![]() ![]() |
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 |
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Processing
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Refinement | Method to determine structure: ![]() 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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