+Open data
-Basic information
Entry | Database: PDB / ID: 8hea | ||||||
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Title | Esterase2 (EaEst2) from Exiguobacterium antarcticum | ||||||
Components | Thermostable carboxylesterase Est30 | ||||||
Keywords | HYDROLASE / Esterase | ||||||
Function / homology | Esterase/lipase / Serine aminopeptidase, S33 / Serine aminopeptidase, S33 / carboxylic ester hydrolase activity / Alpha/Beta hydrolase fold / Thermostable carboxylesterase Est30 Function and homology information | ||||||
Biological species | Exiguobacterium antarcticum B7 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.74 Å | ||||||
Authors | Hwang, J. / Lee, J.H. | ||||||
Funding support | Korea, Republic Of, 1items
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Citation | Journal: Int J Mol Sci / Year: 2023 Title: Structural and Biochemical Insights into Bis(2-hydroxyethyl) Terephthalate Degrading Carboxylesterase Isolated from Psychrotrophic Bacterium Exiguobacterium antarcticum. Authors: Hwang, J. / Yoo, W. / Shin, S.C. / Kim, K.K. / Kim, H.W. / Do, H. / Lee, J.H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8hea.cif.gz | 66.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8hea.ent.gz | 46.1 KB | Display | PDB format |
PDBx/mmJSON format | 8hea.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/he/8hea ftp://data.pdbj.org/pub/pdb/validation_reports/he/8hea | HTTPS FTP |
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-Related structure data
Related structure data | 1tqhS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 27727.578 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Exiguobacterium antarcticum B7 (bacteria) Gene: Eab7_2224 / Production host: Escherichia coli (E. coli) / References: UniProt: K0AFS0 |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.78 Å3/Da / Density % sol: 55.83 % |
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Crystal grow | Temperature: 296 K / Method: vapor diffusion, sitting drop / Details: 0.1M HEPES:NaOH (pH 7.5), 20% (w/v) PEG 8000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 5C (4A) / Wavelength: 0.9796 Å |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: May 26, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9796 Å / Relative weight: 1 |
Reflection | Resolution: 1.74→50 Å / Num. obs: 32327 / % possible obs: 100 % / Redundancy: 13 % / Biso Wilson estimate: 23.9 Å2 / CC1/2: 0.99 / Net I/σ(I): 53.7 |
Reflection shell | Resolution: 1.74→1.79 Å / Num. unique obs: 1560 / CC1/2: 0.98 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1TQH Resolution: 1.74→31.7 Å / SU ML: 0.1758 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 20.7347 / Stereochemistry target values: CDL v1.2
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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 mean: 26.3 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.74→31.7 Å
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Refine LS restraints |
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LS refinement shell |
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