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- PDB-4ao8: PEG-bound complex of a novel cold-adapted esterase from an Arctic... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4ao8 | ||||||
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Title | PEG-bound complex of a novel cold-adapted esterase from an Arctic intertidal metagenomic library | ||||||
![]() | ESTERASE | ||||||
![]() | HYDROLASE / THERMO LABEL | ||||||
Function / homology | Alpha/Beta hydrolase fold, catalytic domain / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / DI(HYDROXYETHYL)ETHER![]() | ||||||
Biological species | UNIDENTIFIED (others) | ||||||
Method | ![]() ![]() | ||||||
![]() | Fu, J. / Leiros, H.-K.S. / Pascale, D.d. / Johnson, K.A. / Blencke, H.M. / Landfald, B. | ||||||
![]() | ![]() Title: Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library. Authors: Fu, J. / Leiros, H.-K.S. / De Pascale, D. / Johnson, K.A. / Blencke, H.M. / Landfald, B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 109.6 KB | Display | ![]() |
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PDB format | ![]() | 84.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 445 KB | Display | ![]() |
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Full document | ![]() | 451.6 KB | Display | |
Data in XML | ![]() | 12.8 KB | Display | |
Data in CIF | ![]() | 17.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 28294.195 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: HIS-TAGGED CONSTRUCT / Source: (gene. exp.) UNIDENTIFIED (others) Description: FROM A METAGENOMIC LIBRARY FROM INTERTIDAL ZONE AT SVALBARD ARCHIPELAGO Production host: ![]() ![]() |
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#2: Chemical | ChemComp-PEG / |
#3: Water | ChemComp-HOH / |
Sequence details | RESIDUES MRGSHHHHHH |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.86 Å3/Da / Density % sol: 33.91 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97239 Å / Relative weight: 1 |
Reflection | Resolution: 1.61→55 Å / Num. obs: 27769 / % possible obs: 99.2 % / Observed criterion σ(I): 0 / Redundancy: 4.3 % / Biso Wilson estimate: 23.41 Å2 / Rmerge(I) obs: 0.05 / Net I/σ(I): 0 |
Reflection shell | Resolution: 1.61→1.7 Å / Redundancy: 4.3 % / Rmerge(I) obs: 0.38 / % possible all: 99.3 |
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Processing
Software | Name: REFMAC / Version: 5.5.0102 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Method to determine structure: OTHER Starting model: NONE Resolution: 1.61→25 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.955 / SU B: 3.784 / SU ML: 0.059 / Cross valid method: THROUGHOUT / ESU R: 0.095 / ESU R Free: 0.095 / 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: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.049 Å2
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Refinement step | Cycle: LAST / Resolution: 1.61→25 Å
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Refine LS restraints |
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