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TitleAtomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
Journal, issue, pagesJ. Biol. Chem., Vol. 283, Page 21827-21836, Year 2008
Publish dateFeb 6, 2008 (structure data deposition date)
AuthorsSchmidt, A. / Gruber, K. / Kratky, C. / Lamzin, V.S.
External linksJ. Biol. Chem. / PubMed:18524775
MethodsX-ray diffraction
Resolution1.05 - 1.25 Å
Structure data

PDB-3c6x:
HNL from Hevea brasiliensis to atomic resolution
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-3c6y:
HNL from Hevea brasiliensis to atomic resolution
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-3c6z:
HNL from Hevea brasiliensis to atomic resolution
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-3c70:
HNL from Hevea brasiliensis to atomic resolution
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-ACN:
ACETONE

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-SCN:
THIOCYANATE ION

Source
  • hevea brasiliensis (rubber tree)
KeywordsLYASE / atomic resolution / hydroxynitril lyase / catalysis / protonation state / ab initio calculations / substrate binding

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