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Open data
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Basic information
Entry | Database: PDB / ID: 7c2d | |||||||||
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Title | Esterase AlinE4 mutant-S13A | |||||||||
![]() | SGNH-hydrolase family esterase | |||||||||
![]() | HYDROLASE / esterase / SGNH-hydrolase family / marine | |||||||||
Function / homology | SGNH hydrolase-type esterase domain / GDSL-like Lipase/Acylhydrolase family / lysophospholipase activity / SGNH hydrolase superfamily / hydrolase activity, acting on ester bonds / ACETATE ION / : / SGNH-hydrolase family esterase / SGNH-hydrolase family esterase![]() | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Li, Z. / Li, J. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: C-terminal swapped dimers revealed a new catalytic mechanism of SGNH-hydrolase family esterases Authors: Li, Z. / Li, 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 | ![]() | 61 KB | Display | ![]() |
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PDB format | ![]() | 38.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 430.8 KB | Display | ![]() |
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Full document | ![]() | 430.8 KB | Display | |
Data in XML | ![]() | 10.4 KB | Display | |
Data in CIF | ![]() | 14.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7c2aC ![]() 7c2cC ![]() 4jggS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 20691.721 Da / Num. of mol.: 1 / Mutation: S13A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||||
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#2: Chemical | ChemComp-CD / #3: Chemical | ChemComp-ACT / | #4: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.44 % |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion, hanging drop Details: 1M Sodium acetate, 100mM HEPES, pH 7.5, 50mM Cadmium sulfate |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: May 16, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97915 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→39.9 Å / Num. obs: 20419 / % possible obs: 99.98 % / Redundancy: 2 % / Biso Wilson estimate: 12.6 Å2 / Rmerge(I) obs: 0.049 / Net I/σ(I): 12.9 |
Reflection shell | Resolution: 1.75→1.84 Å / Rmerge(I) obs: 0.104 / Num. unique obs: 2929 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4JGG Resolution: 1.75→39.9 Å / SU ML: 0.1578 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 17.898
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 14.02 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.75→39.9 Å
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Refine LS restraints |
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LS refinement shell |
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