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Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT
| ABSTRACT - Internet Electron. J. Mol. Des. January 2005, Volume 4, Number 1, 82-93 |
On the Mechanism of Glycoside Hydrolysis by the Family GH-90 Phage P22 Tailspike Protein
Wim Nerinckx, Tom Desmet, and Marc Claeyssens
Internet Electron. J. Mol. Des. 2005, 4, 82-93
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Abstract:
The mechanism of the glycoside hydrolase family 90 Salmonella
phage P22 tailspike protein was reevaluated by automated docking
using Autodock3, with O-antigen oligosaccharide fragments having
different ring-conformations at L-rhamnose and that span the
essential -1 to +1 subsites. In contrast to a previously suggested
mechanism, the docking results strongly indicate that an ALPH-compliant
inverting mechanism is operative, with an anti-positioned
Asp395 acting as proton donor and with Asp392 as general base
assistant.
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