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- PDB-3hi4: Switching catalysis from hydrolysis to perhydrolysis in P. fluore... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3hi4 | ||||||
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Title | Switching catalysis from hydrolysis to perhydrolysis in P. fluorescens esterase | ||||||
![]() | Arylesterase | ||||||
![]() | HYDROLASE / esterase / hydrolysis / perhydrolysis / Peroxidase | ||||||
Function / homology | ![]() arylesterase / Oxidoreductases / arylesterase activity / peroxidase activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Purpero, V.M. | ||||||
![]() | ![]() Title: Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase. Authors: Yin, D.L.T. / Bernhardt, P. / Morley, K.L. / Jiang, Y. / Cheeseman, J.D. / Purpero, V. / Schrag, J.D. / Kazlauskas, R.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 | ![]() | 345.6 KB | Display | ![]() |
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PDB format | ![]() | 280.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 507.4 KB | Display | ![]() |
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Full document | ![]() | 524.8 KB | Display | |
Data in XML | ![]() | 71 KB | Display | |
Data in CIF | ![]() | 98.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3heaC ![]() 1va4S 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 29977.912 Da / Num. of mol.: 6 / Mutation: L29P Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-ACT / #3: Chemical | ChemComp-SO4 / #4: Chemical | ChemComp-GOL / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.42 Å3/Da / Density % sol: 72.15 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 1.75M ammonium sulfate 1% PEG 400, 0.1M HEPES pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Dec 8, 2008 / Details: mirrors |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.25→39.97 Å / Num. obs: 146673 / % possible obs: 99.6 % / Observed criterion σ(I): 0 / Redundancy: 2.7 % / Biso Wilson estimate: 37.652 Å2 / Rsym value: 0.079 / Net I/σ(I): 12.3 |
Reflection shell | Resolution: 2.25→2.29 Å / Redundancy: 2.5 % / Mean I/σ(I) obs: 2.15 / Num. unique all: 7291 / Rsym value: 0.356 / % possible all: 99.6 |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: 1VA4 Resolution: 2.25→39.97 Å / SU B: 3.939 / SU ML: 0.097 / Cross valid method: THROUGHOUT / ESU R: 0.155 / ESU R Free: 0.147 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Displacement parameters | Biso mean: 29.392 Å2
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Refinement step | Cycle: LAST / Resolution: 2.25→39.97 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.25→2.29 Å
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