Table 3. Tunnels in CYP2C9.
Tunnel1) | Residues defining entrance (1R9O1)2) | Residues defining entrance (1R9O2)2) | Lining secondary structure3) |
2a | F69, K72, P101 | K72, P101, S220, P221 | β1 sheet, FG, BC loops |
2b | K72, I74, R97, I99 | K72, I74, R97, I99 | β1, β2 sheets, BC loop |
2c | A106, R108, V237, E288 | A106, R108, V237, E288 | G, I helices, BC loop |
2ac | P101, A106, P221, H230 | L102, A106, I222, H230 | G helix, BC loop |
2e | G98, P101, A106, G109 | G98, P101, A106, G109 | BC loop |
2f | P37, I45, N218, P221 | I42, I47, I215, P211 | FG loop, N-terminal coil |
S (solvent) | C206, E300, R307, F476 | C206, E300, R307, F476 | F, E helices, β4 sheet |