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. 2011 Dec 5;6(12):e28458. doi: 10.1371/journal.pone.0028458

Table 2. The "door keeper" rule of inhibitor binding in Co-CA.

Inhibitor, atom Zinc Gly-107, NH Asp-49, Oδ2
(Distance (Å)) (Distance (Å)) (Distance (Å))
HPO4 2-,O 2.0 2.8 3.6
N3-, N 2.0 2.8 3.8
SCN-, N 2.0 3.4 3.8
I-, OH (H2O) 2.3 3.4 2.9
AZM, NH 2.0 3.6 3.1

When zinc-binding groups are protonated, a hydrogen bond is formed to the side chain of the hydrogen acceptor Asp-49. If the zinc-bound group is not protonated, a hydrogen bond is formed to the main chain amide group of the hydrogen donator Gly-107.