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Open data
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Basic information
Entry | Database: PDB / ID: 7ci0 | ||||||
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Title | Microbial Hormone-sensitive lipase E53 mutant S162A | ||||||
![]() | Lipase | ||||||
![]() | HYDROLASE / Esterase / Microbial Hormone-sensitive lipase | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Yang, X. / Li, Z. / Xu, X. / Li, J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus . Authors: Ding, Y. / Nie, L. / Yang, X.C. / Li, Y. / Huo, Y.Y. / Li, Z. / Gao, Y. / Cui, H.L. / Li, J. / Xu, X.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 523.7 KB | Display | ![]() |
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PDB format | ![]() | 395.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 590.2 KB | Display | ![]() |
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Full document | ![]() | 615.4 KB | Display | |
Data in XML | ![]() | 64.6 KB | Display | |
Data in CIF | ![]() | 94 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7cihC ![]() 7w8nC ![]() 4ypvS 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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3 | ![]()
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4 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 33142.730 Da / Num. of mol.: 4 / Mutation: S162A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 12 types, 1425 molecules ![](data/chem/img/NPO.gif)
![](data/chem/img/6NA.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/DMS.gif)
![](data/chem/img/DIO.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/6NA.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/DMS.gif)
![](data/chem/img/DIO.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-NPO / #3: Chemical | #4: Chemical | #5: Chemical | ChemComp-EDO / #6: Chemical | ChemComp-DMS / #7: Chemical | ChemComp-DIO / #8: Chemical | ChemComp-GOL / #9: Chemical | ChemComp-SO4 / #10: Chemical | #11: Chemical | ChemComp-NA / | #12: Chemical | ChemComp-MES / | #13: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.8 Å3/Da / Density % sol: 67.64 % |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion, hanging drop Details: MES pH 6.5, PEG, ammonium sulfate, dioxane, PEG 1000 |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: May 1, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9778 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→48.66 Å / Num. obs: 221017 / % possible obs: 99.79 % / Redundancy: 2 % / Biso Wilson estimate: 27.09 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.015 / Net I/σ(I): 20.16 |
Reflection shell | Resolution: 1.7→1.76 Å / Rmerge(I) obs: 0.258 / Mean I/σ(I) obs: 2.49 / Num. unique obs: 21745 / CC1/2: 0.918 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4YPV Resolution: 1.7→47.35 Å / SU ML: 0.1843 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.2447 / Stereochemistry target values: CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 33.54 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→47.35 Å
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Refine LS restraints |
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LS refinement shell |
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