+
Open data
-
Basic information
Entry | Database: PDB / ID: 8ivm | ||||||
---|---|---|---|---|---|---|---|
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 | ![]()
| ||||||
![]() | ![]() 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 |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 171.7 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 131.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.2 MB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 2.2 MB | Display | |
Data in XML | ![]() | 36.2 KB | Display | |
Data in CIF | ![]() | 54.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7y0lC ![]() 7yd2C ![]() 8golSC ![]() 8goyC ![]() 8gp0C ![]() 8iveC ![]() 8ivnC ![]() 8ivsC ![]() 8ivtC ![]() 8iw3C ![]() 8iw6C ![]() 8j7gC ![]() 8j7jC ![]() 8j7kC S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data | Similarity search - Function & homology ![]() |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 41152.312 Da / Num. of mol.: 2 / Mutation: P44R,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 | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.47 Å3/Da / Density % sol: 50.27 % |
---|---|
Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / Details: PEG |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
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: 1.32→47.18 Å / Num. obs: 182251 / % possible obs: 97.6 % / Redundancy: 4.7 % / CC1/2: 0.999 / Rpim(I) all: 0.025 / Net I/σ(I): 15.3 |
Reflection shell | Resolution: 1.32→1.35 Å / Num. unique obs: 11288 / CC1/2: 0.757 / Rpim(I) all: 0.363 |
-
Processing
Software |
| ||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: 8GOL Resolution: 1.32→36.05 Å / Cross valid method: FREE R-VALUE Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
| ||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.86 Å2 | ||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.32→36.05 Å
| ||||||||||||||||||||||||
Refine LS restraints |
|