Table 2 Drug binding site residues
From: Molecular models of human P-glycoprotein in two different catalytic states
Pose | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 |
|---|---|---|---|---|---|---|---|---|
Colchicine | Gln946 | Gln946 | Ile306 | Ile306 | Ile306 | Ile306 | Ile306 | Leu339 |
| Â | Tyr950 | Tyr950 | Phe335 | Phe335 | Phe335 | Phe335 | Phe335 | Gln725 |
| Â | Tyr953 | Tyr953 | Phe728 | Phe728 | Leu339 | Phe728 | Phe728 | Phe728 |
| Â | Phe957 | Phe957 | Â | Â | Phe728 | Â | Â | Phe983 |
| Â | Â | Leu975 | Â | Â | Â | Â | Â | Â |
RhodamineB | Leu65 | His61 | Phe728 | Ile306 | Ile306 | Ile306 | Ala311 | Gln725 |
| Â | Ile340 | Leu65 | Tyr950 | Phe335 | Phe335 | Phe728 | Phe335 | Phe728 |
| Â | Phe343 | Val125 | Tyr953 | Phe728 | Phe728 | Phe983 | Phe728 | Phe983 |
| Â | Phe942 | Phe938 | Phe957 | Phe983 | Phe983 | Â | Â | Â |
| Â | Tyr950 | Â | Leu975 | Â | Â | Â | Â | Â |
| Â | Tyr953 | Â | Â | Â | Â | Â | Â | Â |
| Â | Phe957 | Â | Â | Â | Â | Â | Â | Â |
| Â | Val982 | Â | Â | Â | Â | Â | Â | Â |
Verapamil | Ile306 | Ile306 | Ile306 | Ala311 | Leu65 | Ile306 | Ile306 | Leu975 |
| Â | Phe335 | Leu339 | Phe335 | Phe335 | Val125 | Phe335 | Phe335 | Thr333 |
| Â | Leu339 | Phe343 | Phe728 | Phe728 | Phe942 | Leu339 | Leu339 | Â |
| Â | Gln725 | Gln725 | Â | Leu975 | Â | Phe345 | Â | Â |
| Â | Phe728 | Phe728 | Â | Â | Â | Â | Â | Â |
| Â | Val125 | Ile306 | Val125 | Val125 | Leu65 | Ile306 | Ile306 | Phe343 |
| Â | Ile340 | Phe335 | Leu339 | Leu339 | Ile340 | Thr333 | Phe335 | Gln725 |
| Â | Phe343 | Leu339 | Ile340 | Ile340 | Phe343 | Phe335 | Leu339 | Phe728 |
Vinblastine | Phe942 | Ile340 | Phe343 | Phe343 | Phe728 | Leu339 | Phe343 | Ser766 |
| Â | Gln946 | Phe343 | Phe938 | Phe942 | Gln946 | Ile340 | Phe728 | Phe983 |
| Â | Val982 | Phe728 | Phe942 | Val982 | Phe983 | Phe728 | Phe983 | Â |
| Â | Phe983 | Phe983 | Phe983 | Phe983 | Â | Phe983 | Â | Â |