Table 2.
Compound | Hydrogen bonding residues and distance | Hydrophobic interacting residues | B. affinity (kcal/mol) | ||
---|---|---|---|---|---|
1 | His541 | 3.32 Å | His408, Cys442, Leu488, His491, Ile517 and Tyr543 | –8.7 | |
2 | Ala439 | 2.69 Å | Cys405, His408, Thr437, Cys442, Leu488, His491, Ile517, His541 and Tyr543 | –8.7 | |
Thiourea (standard) | –3.4 | ||||
1 | No H bonding | Gly62, Phe90, Trp93, Val262, Phe292 and His296 | –7.6 | ||
2 | No H bonding | Phe90, Val262, Phe292, His295 and His296 | –7.5 | ||
Kojic acid (standard) | –5.1 |