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. 2014 Aug 7;57(16):6989–7005. doi: 10.1021/jm500448u

Table 4. TcCYP51 Amino Acid Point Contacts within 5 Å of the Inhibitors.

amino acid residues 1 (biaryl variant) 12 (N-arylpiperazine variant)
invariant in CYP51 family Y103, F110 Y103, F110
conserved across the phyla F48, Y116, A291, T295, L356, M460 F48, I72a, Y116, A291, T295, L356, M460
substrate-specific I105 I105
phylum-specific M106, P210, V213, F290, F55, I79, M106, P210, V213, F290
more variable F214, A287, M358, M360, V461 I45, I70, V77, F214, A287, M358, M360, V461
a

Highlighted in bold are points of contact which do not overlap between two inhibitors.