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- PDB-8j5v: Crystal structure of estZF172 as a novel biocatalyst for the effi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8j5v | ||||||
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Title | Crystal structure of estZF172 as a novel biocatalyst for the efficient biosynthesis of a chiral intermediate of pregabalin | ||||||
![]() | Carboxylesterase | ||||||
![]() | LYASE / Esterase/lipase Family VIII / Carboxylesterase | ||||||
Function / homology | Beta-lactamase-related / Beta-lactamase / Beta-lactamase/transpeptidase-like / Carboxylesterase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Chi, C.B. / Liang, Z.D. / Huo, B.Q. / Hu, C.X. / Sun, Q.Y. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure of estZF172 as a novel biocatalyst for the efficient biosynthesis of a chiral intermediate of pregabalin Authors: Chi, C.B. / Liang, Z.D. / Huo, B.Q. / Hu, C.X. / Sun, Q.Y. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 83.7 KB | Display | ![]() |
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PDB format | ![]() | 61.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 421.9 KB | Display | ![]() |
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Full document | ![]() | 424.8 KB | Display | |
Data in XML | ![]() | 14.8 KB | Display | |
Data in CIF | ![]() | 20.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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: 44055.516 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 39.28 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 3.0 M Sodium formate, 0.1 M Tris-HCl pH7.5 |
-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: Aug 27, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.18057 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→46.38 Å / Num. obs: 23004 / % possible obs: 99.4 % / Redundancy: 5.4 % / Rmerge(I) obs: 0.084 / Net I/σ(I): 14.1 |
Reflection shell | Resolution: 2.05→2.11 Å / Rmerge(I) obs: 0.558 / Num. unique obs: 1769 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.898 Å2
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Refinement step | Cycle: 1 / Resolution: 2.05→44.97 Å
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Refine LS restraints |
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