Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors

Carbonate dehydratase II, Carbonic anhydrase C, CAC, Carbonic anhydrase II, CA-II

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLK
GGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVV
DVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK

3M Ammonium Sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 291K

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

Carbonate dehydratase, LYASE-LYASE INHIBITOR complex