+Open data
-Basic information
Entry | Database: PDB / ID: 2wtm | ||||||
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Title | Est1E from Butyrivibrio proteoclasticus | ||||||
Components | EST1E | ||||||
Keywords | HYDROLASE / ESTERASE / FERULIC ACID ESTERASE | ||||||
Function / homology | Function and homology information Peptidase S33 tripeptidyl aminopeptidase-like, C-terminal / TAP-like protein / Serine aminopeptidase, S33 / Serine aminopeptidase, S33 / Alpha/Beta hydrolase fold, catalytic domain / Alpha/Beta hydrolase fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta Similarity search - Domain/homology | ||||||
Biological species | CLOSTRIDIUM PROTEOCLASTICUM (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.6 Å | ||||||
Authors | Goldstone, D.C. / Arcus, V.L. | ||||||
Citation | Journal: Proteins / Year: 2010 Title: Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus. Authors: Goldstone, D.C. / Villas-Boas, S.G. / Till, M. / Kelly, W.J. / Attwood, G.T. / Arcus, V.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2wtm.cif.gz | 215.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2wtm.ent.gz | 182.1 KB | Display | PDB format |
PDBx/mmJSON format | 2wtm.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wt/2wtm ftp://data.pdbj.org/pub/pdb/validation_reports/wt/2wtm | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 28057.234 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) CLOSTRIDIUM PROTEOCLASTICUM (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: D2YW37*PLUS #2: Chemical | ChemComp-PO4 / #3: Chemical | ChemComp-GOL / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.08 Å3/Da / Density % sol: 40.54 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 0.979 |
Detector | Type: MARRESEARCH / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→50 Å / Num. obs: 124101 / % possible obs: 99.4 % / Observed criterion σ(I): 2 / Redundancy: 2.8 % / Biso Wilson estimate: 16.4 Å2 / Rmerge(I) obs: 0.08 / Net I/σ(I): 13.7 |
Reflection shell | Resolution: 1.6→1.65 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.35 / Mean I/σ(I) obs: 4.8 / % possible all: 99.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.6→89.44 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.954 / SU B: 1.506 / SU ML: 0.054 / Cross valid method: THROUGHOUT / ESU R: 0.079 / ESU R Free: 0.084 / 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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 15.15 Å2
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Refinement step | Cycle: LAST / Resolution: 1.6→89.44 Å
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