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Yorodumi- PDB-4wy8: Structural analysis of two fungal esterases from Rhizomucor miehe... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4wy8 | ||||||
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Title | Structural analysis of two fungal esterases from Rhizomucor miehei explaining their substrate specificity | ||||||
Components | esterase | ||||||
Keywords | HYDROLASE / Rhizomucor miehei / Esterase / Substrate specificity | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Rhizomucor miehei CAU432 (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.27 Å | ||||||
Authors | Qin, Z. / Yang, S. / Duan, X. / Yan, Q. / Jiang, Z. | ||||||
Citation | Journal: J.Lipid Res. / Year: 2015 Title: Structural insights into the substrate specificity of two esterases from the thermophilic Rhizomucor miehei Authors: Yang, S. / Qin, Z. / Duan, X. / Yan, Q. / Jiang, Z. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4wy8.cif.gz | 267.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4wy8.ent.gz | 217.2 KB | Display | PDB format |
PDBx/mmJSON format | 4wy8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wy/4wy8 ftp://data.pdbj.org/pub/pdb/validation_reports/wy/4wy8 | HTTPS FTP |
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-Related structure data
Related structure data | 4wy5C 1jjiS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 36657.930 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rhizomucor miehei CAU432 (fungus) / Plasmid: pET30a / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A0M3KKZ9*PLUS, carboxylesterase #2: Water | ChemComp-HOH / | Sequence details | A SEQUENCE DATABASE REFERENCE FOR THIS PROTEIN DOES NOT CURRENTLY EXIST. | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.18 Å3/Da / Density % sol: 43.6 % Description: THE ENTRY CONTAINS FRIEDEL PAIRS IN F_PLUS/MINUS COLUMNS. |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.9 Details: 20% (w/v) PEG4000; 10% (v/v) 2-propanol; 100mM HEPES buffer (pH7.5) |
-Data collection
Diffraction | Mean temperature: 90 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.9792 Å |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Dec 23, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9792 Å / Relative weight: 1 |
Reflection | Resolution: 2.27→46.65 Å / Num. obs: 55910 / % possible obs: 94.49 % / Redundancy: 3.7 % / Net I/σ(I): 15.08 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1JJI Resolution: 2.27→46.645 Å / SU ML: 0.26 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 24.26 / Stereochemistry target values: ML Details: SF FILE CONTAINS FRIEDEL PAIRS UNDER I/F_MINUS AND I/F_PLUS COLUMNS.
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.27→46.645 Å
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Refine LS restraints |
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LS refinement shell |
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