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. 2011 Aug 11;7(8):e1002152. doi: 10.1371/journal.pcbi.1002152

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

1. Nomenclature as in [20].

2. The tunnel entrance was defined as the geometric center of the Cα atoms of the residues listed.

3. The original secondary structure nomenclature defined for the bacterial P450s [26] was adapted to CYP2C9.