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TitleReshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 54, Page 12410-12415, Year 2015
Publish dateDec 17, 2014 (structure data deposition date)
AuthorsSun, Z. / Lonsdale, R. / Kong, X.D. / Xu, J.H. / Zhou, J. / Reetz, M.T.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:25891639
MethodsX-ray diffraction
Resolution1.53 - 2.3 Å
Structure data

PDB-4xbt:
Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4xbx:
Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-4xby:
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4xdv:
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclohexanediol
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-4xdw:
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-3ZQ:
(1S,2S)-cyclohexane-1,2-diol

ChemComp-FLC:
CITRATE ANION

ChemComp-HOH:
WATER

ChemComp-3ZS:
(1R,5S)-6-oxabicyclo[3.1.0]hexane

ChemComp-40O:
(1R,2R)-cyclohexane-1,2-diol

Source
  • rhodococcus erythropolis (bacteria)
KeywordsHYDROLASE / epoxide hydrolase / product complex

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