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Open data
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Basic information
Entry | Database: PDB / ID: 8iw3 | ||||||
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Title | crystal structure of SulE mutant | ||||||
![]() | Alpha/beta fold hydrolase | ||||||
![]() | HYDROLASE / Complex / SulE / mutant | ||||||
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 | ![]() | 172.6 KB | Display | ![]() |
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PDB format | ![]() | 130.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7y0lC ![]() 7yd2C ![]() 8golSC ![]() 8goyC ![]() 8gp0C ![]() 8iveC ![]() 8ivmC ![]() 8ivnC ![]() 8ivsC ![]() 8ivtC ![]() 8iw6C ![]() 8j7gC ![]() 8j7jC ![]() 8j7kC 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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Unit cell |
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Components
#1: Protein | Mass: 41092.234 Da / Num. of mol.: 2 / Mutation: S209A,H333A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | #5: 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: 2.5 Å3/Da / Density % sol: 50.78 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / Details: PEG |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jan 1, 2023 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9791 Å / Relative weight: 1 |
Reflection | Resolution: 1.56→36.1 Å / Num. obs: 113711 / % possible obs: 99.5 % / Redundancy: 4.6 % / CC1/2: 0.996 / Rpim(I) all: 0.044 / Net I/σ(I): 10.1 |
Reflection shell | Resolution: 1.56→1.6 Å / Num. unique obs: 8347 / CC1/2: 0.648 / Rpim(I) all: 0.423 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 8GOL Resolution: 1.56→34.53 Å / Cross valid method: FREE R-VALUE Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Displacement parameters | Biso mean: 22.34 Å2 | ||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.56→34.53 Å
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Refine LS restraints |
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