Table 3. Contacts () involving the inhibitor N9 CH3 with Val115 (hDHFR) or Ile123 (pcDHFR), Thr56 (hDHFR) or Thr61 (pcDHFR), and Ile60 (hDHFR) or Ile65 (pcDHFR).
DHFR | N9 CH3Val115/Ile123 | N9 CH3Thr56/Thr61 | N9 CH3Ile60/Ile65 |
---|---|---|---|
hDHFR22 | Carbonyl O, 5.3; CG1, 6.9 | CG2, 4.6 | CG1, 4.5 |
pcDHFR22 (F69N) | Carbonyl O, 4.7; CG1, 4.8 | CG2, 3.8 | CG1, 4.7 |
hDHFR26 | Carbonyl O, 5.2; CG2, 5.8 | CG2, 3.9 | CG1, 4.5 |
pcDHFR26 | Carbonyl O, 4.5; CG1, 5.4 | CG2, 3.6 | CG1, 5.2 |
pcDHFR24 | Carbonyl O, 4.5; CD1, 4.3 | CG2, 3.6 | CG1, 4.2 |