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- PDB-7yko: Crystal structure of a novel alpha/beta hydrolase mutant from the... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7yko | |||||||||
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Title | Crystal structure of a novel alpha/beta hydrolase mutant from thermomonospora curvata in complex with pentane-1,5-diol | |||||||||
![]() | Triacylglycerol lipase | |||||||||
![]() | HYDROLASE / plastic / PET / degradation | |||||||||
Function / homology | ![]() poly(ethylene terephthalate) hydrolase / cutinase activity / cutinase / triacylglycerol lipase activity / periplasmic space / extracellular region Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Han, X. / Jian, G. / Bornscheuer, U.T. / Wei, R. / Liu, W. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure of a novel alpha/beta hydrolase mutant from thermomonospora curvata in complex with pentane-1,5-diol Authors: Han, X. / Jian, G. / Bornscheuer, U.T. / Wei, R. / Liu, 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 | ![]() | 69.9 KB | Display | ![]() |
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PDB format | ![]() | 52.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 843.2 KB | Display | ![]() |
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Full document | ![]() | 844.2 KB | Display | |
Data in XML | ![]() | 15.3 KB | Display | |
Data in CIF | ![]() | 24.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1jfrS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homology ![]() |
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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 on special symmetry positions |
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Components
#1: Protein | Mass: 28414.895 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: Tcur_1278 / Plasmid: pET-28a / Production host: ![]() ![]() | ||||
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#2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.06 Å3/Da / Density % sol: 40.28 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 8 / Details: MPD, PEG 1500, NaAc |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 20, 2020 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.15→25.32 Å / Num. obs: 83333 / % possible obs: 99.1 % / Redundancy: 11.84 % / Biso Wilson estimate: 13.8 Å2 / Rmerge(I) obs: 0.098 / Net I/σ(I): 15.22 |
Reflection shell | Resolution: 1.15→1.22 Å / Redundancy: 10.4 % / Rmerge(I) obs: 0.722 / Mean I/σ(I) obs: 2.7 / Num. unique obs: 12721 / % possible all: 94.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1JFR Resolution: 1.15→25.32 Å / SU ML: 0.1 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 18.84 / Stereochemistry target values: ML
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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 max: 44.88 Å2 / Biso mean: 14.08 Å2 / Biso min: 5.79 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.15→25.32 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 10
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