Fig 3. NS-1502 docked into the KAT-II active site.

The amino acids within 5.0 Å of NS-1502 (green) were chosen for display. Residues Ser-143, Gly-144, and Gln-289 were removed for clarity. The carboxyl group forms hydrogen bonds (yellow dashes) with Asn-202 and Arg-399, and the aromatic ring has pi-pi interactions (green dashes) with Tyr-142 and pi-cation interactions (blue dashes) with Lys-263. Image generated with PyMOL [29].