Table IV (A) Water involved in the interaction inside active site cleft of the enzyme-inhibitor complexes
Papain + Leupeptin[34] | Distances in Ã… | Subsites of inhibitor | |
|---|---|---|---|
| Â | Â | Â | in interaction |
Leup:3Arg:NE | 419:OH2 | 3.28* | P1 |
Leup:3Arg:NH1 | 437:OH2 | 2.67* | P1 |
Caricain + Leupeptin | Â | Â | |
Leup:3Arg:NE | 439:OH2 | 3.21* | P1 |
Leup:3Arg:NE | 411:OH2 | 2.85* | P1 |
Leup:3Arg:NH1 | 1365:OH2 | 2.92* | P1 |
Leup:3Arg:NH2 | 439:OH2 | 2.85 | P1 |
Leup:3Arg:O | 1313:OH2 | 2.63** | P1 |
Leup:Ac:O | 1293:OH2 | 2.86 | P3 |
Caricain:157:Val:O | 1293:OH2 | 2.78 | Â |
Chymopapain + Leupeptin | Â | Â | |
Leup:3Arg:NE | 1288:OH2 | 3.05* | P1 |
Leup:3Arg:NH1 | 1324:OH2 | 2.99* | P1 |
Leup:3Arg:NH2 | 1288:OH2 | 3.01 | P1 |
Leup:3Arg:NH2 | 1397:OH2 | 3.19 | P1 |
Leup:3Arg:O | 1505:OH2 | 2.98** | P1 |
1324:OH2 | 1402:OH2 | 2.74 | Â |
Leup:1Leu:N | 1402:OH2 | 3.32 | P2 |
Leup:Ac:O | 1437:OH2 | 3.13 | P3 |
Chymo:66:Gly:O | 1437:OH2 | 2.74 | Â |
Actinidin + Leupeptin | Â | Â | |
Leup:3Arg:NH1 | 1249:OH2 | 2.83* | P1 |
Leup:3Arg:NH1 | 1303:OH2 | 2.86* | P1 |
Act:158:O | 1303:OH2 | 2.72 | Â |
Leup:3Arg:NH2 | 1249:OH2 | 3.01 | P1 |
Leup:3Arg:NH2 | 1593:OH2 | 3.11 | P1 |
Leup:3Arg:O | 186:OH2 | 3.26** | P1 |
Leup:Ac:O | 1391:OH2 | 3.28 | P3 |
Calotropin DI + Leupeptin | Â | Â | |
Leup:3Arg:NE | 1370:OH2 | 3.23* | P1 |
Leup:3Arg:NH1 | 1370:OH2 | 3.17* | P1 |
Leup:3Arg:NH1 | 1553:OH2 | 3.49* | P1 |
Leup:3Arg:NH1 | 1435:OH2 | 3.37 | P1 |
Leup:3Arg:NH2 | 437:OH2 | 2.56 | P1 |
Leup:3Arg:O | 1320:OH2 | 3.33** | P1 |
Leu :Ac :O | 1595 :O1 | 3.00 | P3 |
1595 :OH2 | CaloDI:67:Tyr :OH | 3.49 | Â |
Leup:Ac:O | CaloDI:67:TYR:OH | 3.22 | P3 |