Table 1 The main characteristics of HSP90 complexes with CYP2E1 and CYP2E1-ethanol
From: The possible mechanisms of CYP2E1 interactions with HSP90 and the influence of ethanol on them
Parameters | CYP2E1-HSP90 | CYP2E1-ethanol-HSP90 |
|---|---|---|
Binding energy (−ΔGGibbs, kJ/mole) | 800 | 470 |
Сontact area (Å2) | 1941 | 1010 |
Resides of CYP2E1 involved in contact with HSP90 | L32, F37, P38, P40, I41, Y71, S74, Q75, R76, D102, P104, H107, A108, H109, R110, D111, R112, G119, P120, T121, R198, Y218, P222, S223, L225, H226, I236, H232, R233, K237, A240, E241, K243, E244, Y245, S247, E248, K251, A280, E281, M286, D287, T290, V291, R374, D375, L382, K385, G386 (49) | N135, Y136, G139, K140, Q141, G142, E144, S145, Q148, R149, H152, F153, E156, R159, K160, Q162, K187, S336, R337, I338, A340, P491 (22) |