+Open data
-Basic information
Entry | Database: PDB / ID: 1ese | ||||||
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Title | THE MOLECULAR MECHANISM OF ENANTIORECOGNITION BY ESTERASES | ||||||
Components | ESTERASE | ||||||
Keywords | HYDROLASE (SERINE ESTERASE) | ||||||
Function / homology | Function and homology information Hydrolases; Acting on ester bonds; Carboxylic-ester hydrolases / carboxylic ester hydrolase activity / extracellular region Similarity search - Function | ||||||
Biological species | Streptomyces scabiei (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.4 Å | ||||||
Authors | Wei, Y. / Schottel, J.L. / Derewenda, U. / Swenson, L. / Patkar, S. / Derewenda, Z.S. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 1995 Title: A novel variant of the catalytic triad in the Streptomyces scabies esterase. Authors: Wei, Y. / Schottel, J.L. / Derewenda, U. / Swenson, L. / Patkar, S. / Derewenda, Z.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ese.cif.gz | 71 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ese.ent.gz | 55.9 KB | Display | PDB format |
PDBx/mmJSON format | 1ese.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/es/1ese ftp://data.pdbj.org/pub/pdb/validation_reports/es/1ese | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO 23 | ||||||||||||
Components on special symmetry positions |
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-Components
#1: Protein | Mass: 33003.750 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Streptomyces scabiei (bacteria) / References: UniProt: P22266 |
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#2: Chemical | ChemComp-DEP / |
#3: Water | ChemComp-HOH / |
Nonpolymer details | ONE DIETHYL PHOSPHONAT |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.98 Å3/Da / Density % sol: 58.66 % | ||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 4.6 / Method: vapor diffusion, hanging drop / Details: Green, R., (1992) J. Mol. Biol., 227, 569. | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 2.4 Å / Num. obs: 12224 / % possible obs: 80.1 % / Redundancy: 2.5 % / Rmerge(I) obs: 0.07 |
-Processing
Software | Name: PROLSQ / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Resolution: 2.4→7.5 Å / σ(F): 0 Details: PHASES WERE CALCULATED FROM THE NATIVE STRUCTURE. THE STRUCTURE WAS SOLVED BY THE DIFFERENCE FOURIER METHOD USING THE PHASES OF NATIVE MODEL.
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Refinement step | Cycle: LAST / Resolution: 2.4→7.5 Å
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Refine LS restraints |
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