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- PDB-5cta: G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 10% [BMIM][Cl] -
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Open data
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Basic information
Entry | Database: PDB / ID: 5cta | ||||||
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Title | G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 10% [BMIM][Cl] | ||||||
![]() | Esterase | ||||||
![]() | HYDROLASE | ||||||
Function / homology | ![]() lipase activity / triacylglycerol lipase / triacylglycerol lipase activity / lipid catabolic process / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Nordwald, E.M. / Plaks, J.G. / Snell, J.R. / Sousa, M.C. / Kaar, J.L. | ||||||
![]() | ![]() Title: Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Authors: Nordwald, E.M. / Plaks, J.G. / Snell, J.R. / Sousa, M.C. / Kaar, J.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 138.3 KB | Display | ![]() |
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PDB format | ![]() | 111.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5criC ![]() 5ct4C ![]() 5ct5C ![]() 5ct6C ![]() 5ct8C ![]() 5ct9C ![]() 5curC 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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1 |
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Unit cell |
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Components
#1: Protein | Mass: 19321.613 Da / Num. of mol.: 1 / Mutation: K75E, Y80E, R88E, G189E Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: I6V559, UniProt: P37957*PLUS, triacylglycerol lipase |
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#2: Chemical | ChemComp-BM0 / |
#3: Chemical | ChemComp-CL / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.25 Å3/Da / Density % sol: 45.29 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop Details: 35 % PEG 3350, 20 mM NaSO4, 0.1M ethanolamine, 10mM ZnCl2, pH 9.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 13, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9999 Å / Relative weight: 1 |
Reflection | Resolution: 1.24→27.9 Å / Num. obs: 45856 / % possible obs: 92.1 % / Redundancy: 3.4 % / Rmerge(I) obs: 0.054 / Net I/σ(I): 18.2 |
Reflection shell | Resolution: 1.24→1.31 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.072 / Mean I/σ(I) obs: 12.5 / % possible all: 98.5 |
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Processing
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Refinement | Resolution: 1.24→20.048 Å / SU ML: 0.08 / Cross valid method: FREE R-VALUE / σ(F): 1.49 / Phase error: 7.38 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.73 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 55.818 Å2 / ksol: 0.434 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 1.24→20.048 Å
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Refine LS restraints |
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LS refinement shell |
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