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Figure 5
Scheme of the proposed catalytic mechanism of NleC. Substrate hydrolysis by NleC proceeds via a high-energy reaction intermediate such as that captured in the structure with PDB entry 1qji . This reaction intermediate is centred on the tetrahedral carboxyl C atom of Cys38 of p65 bound to two gem-diolate O atoms, the scissile-bond N atom of Glu39 and the Cα atom of Cys38. The tetrahedral C atom itself is derived from the original scissile-bond carbonyl group by the nucleophilic attack of a solvent molecule polarized by the general acid/base glutamate Glu184. The para O atom of Tyr227 is supposed to stabilize one of the gem-diolate O atoms of the tetrahedral C atom.

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
Volume 70| Part 1| December 2014| Pages 40-47
doi:10.1107/S1399004713024619
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