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- PDB-5aii: Discovery and characterization of thermophilic limonene-1,2-epoxi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5aii | ||||||
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Title | Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. CH55-sample-PEG complex | ||||||
![]() | LIMONENE-1,2-EPOXIDE HYDROLASE | ||||||
![]() | HYDROLASE | ||||||
Function / homology | ![]() Nuclear Transport Factor 2; Chain: A, - #50 / Nuclear Transport Factor 2; Chain: A, / Roll / Alpha Beta Similarity search - Domain/homology | ||||||
Biological species | UNIDENTIFIED (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ferrandi, E. / Sayer, C. / Isupov, M.N. / Annovazzi, C. / Marchesi, C. / Iacobone, G. / Peng, X. / Bonch-Osmolovskaya, E. / Wohlgemuth, R. / Littlechild, J.A. / Montia, D. | ||||||
![]() | ![]() Title: Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries Authors: Ferrandi, E.E. / Sayer, C. / Isupov, M.N. / Annovazzi, C. / Marchesi, C. / Iacobone, G. / Peng, X. / Bonch-Osmolovskaya, E. / Wohlgemuth, R. / Littlechild, J.A. / Montia, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 462.8 KB | Display | ![]() |
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PDB format | ![]() | 387 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 103.8 KB | Display | |
Data in CIF | ![]() | 143.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5aifC ![]() 5aigC ![]() 5aihC ![]() 1nwwS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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8 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
-Protein , 1 types, 16 molecules ABCDEFGHIJKLMNOP
#1: Protein | Mass: 14639.479 Da / Num. of mol.: 16 Source method: isolated from a genetically manipulated source Source: (gene. exp.) UNIDENTIFIED (others) / Plasmid: PRHAM / Production host: ![]() ![]() |
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-Non-polymers , 9 types, 1910 molecules ![](data/chem/img/PG4.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PG5.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/HIS.gif)
![](data/chem/img/PG6.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PG5.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/HIS.gif)
![](data/chem/img/PG6.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-PG4 / #3: Chemical | ChemComp-PEG / #4: Chemical | ChemComp-ACT / #5: Chemical | ChemComp-EDO / #6: Chemical | ChemComp-PG5 / | #7: Chemical | ChemComp-PGE / #8: Chemical | ChemComp-HIS / | #9: Chemical | #10: Water | ChemComp-HOH / | |
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-Details
Sequence details | GENBANK KP765710 |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.35 Å3/Da / Density % sol: 47.19 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PIXEL / Detector: PIXEL |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 1.47→104.2 Å / Num. obs: 336972 / % possible obs: 97.5 % / Observed criterion σ(I): 1.9 / Redundancy: 3.4 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 18.3 |
Reflection shell | Resolution: 1.47→1.51 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.77 / Mean I/σ(I) obs: 1.9 / % possible all: 94.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1NWW Resolution: 1.47→104.23 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.957 / SU B: 1.476 / SU ML: 0.055 / Cross valid method: THROUGHOUT / ESU R: 0.073 / ESU R Free: 0.076 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.644 Å2
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Refinement step | Cycle: LAST / Resolution: 1.47→104.23 Å
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Refine LS restraints |
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