Ontology highlight
ABSTRACT:
SUBMITTER: Stein BW
PROVIDER: S-EPMC3959894 | biostudies-literature | 2014 Feb
REPOSITORIES: biostudies-literature
Chemical communications (Cambridge, England) 20140201 9
A molecular orbital analysis provides new insight into the mechanism of Mo/Cu carbon monoxide dehydrogenase, and reveals electronic structure contributions to reactivity that are remarkably similar to the structurally related molybdenum hydroxylases. A calculated reaction barrier of ~12 kcal mol(-1) is in excellent agreement with experiment. ...[more]