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TitleStructure and evolutionary trace-assisted screening of a residue swapping the substrate ambiguity and chiral specificity in an esterase.
Journal, issue, pagesComput Struct Biotechnol J, Vol. 19, Page 2307-2317, Year 2021
Publish dateSep 26, 2019 (structure data deposition date)
AuthorsCea-Rama, I. / Coscolin, C. / Katsonis, P. / Bargiela, R. / Golyshin, P.N. / Lichtarge, O. / Ferrer, M. / Sanz-Aparicio, J.
External linksComput Struct Biotechnol J / PubMed:33995922
MethodsX-ray diffraction
Resolution2.06 - 2.27 Å
Structure data

PDB-6sxy:
STRUCTURE OF S192A-ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH METHYL (2S)-2-PHENYLPROPANOATE
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-6sya:
STRUCTURE OF S192A-ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH METHYL (2R)-2-PHENYLPROPANOATE
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

Chemicals

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-LXH:
methyl (2~{S})-2-phenylpropanoate

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-LY8:
methyl (2~{R})-2-phenylpropanoate

Source
  • uncultured bacterium (environmental samples)
KeywordsHYDROLASE / Ester hydrolase / Complex

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