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Structure paper

TitleCombined X-ray diffraction and QM/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification
Journal, issue, pagesJ. Phys. Chem. B, Vol. 112, Page 4876-4883, Year 2008
Publish dateNov 14, 2006 (structure data deposition date)
AuthorsLuic, M. / Stefanic, Z. / Ceilinger, I. / Hodoscek, M. / Janezic, D. / Lenac, T. / Asler, I.L. / Sepac, D. / Tomic, S.
External linksJ. Phys. Chem. B / PubMed:18386861
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-2nw6:
Burkholderia cepacia lipase complexed with S-inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-POT:
(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE

ChemComp-HOH:
WATER

Source
  • burkholderia cepacia (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Pseudomonas cepacia lipase / racemic sec alcohols / transition state (TS) analogue / molecular modelling / HYDROLASE-HYDROLASE INHIBITOR complex

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