Improvement of kynurenine aminotransferase-II inhibitors guided by mimicking sulfate esters
Fig 7
JN-02 docked into the KAT-II active site.
The amino acids within 5.0 Å of JN-02 (green) were chosen for display. Residues Ser-143, Gly-144, and Gln-289 were removed for clarity. The amine in the sulfonamide forms hydrogen bonds (yellow dashes) with Gln-118, and the carbonyl in the phthalimide rings forms a hydrogen bond with Tyr-142. 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].