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. Author manuscript; available in PMC: 2013 Dec 19.
Published in final edited form as: Bioconjug Chem. 2012 Dec 10;23(12):2403–2416. doi: 10.1021/bc3004342

Figure 3.

Figure 3

Hypothetical binding mode of inhibitor 13a in the Ag85C active site predicted using Glide 4.5. The arabinofuranoside substituent is located in the trehalose binding pocket and the ester moiety is oriented in the vicinity of Ser124. The tetrahydrobenzo[b]thiopene is accommodated in the mycolate α-chain binding channel extending through the core of Ag85C.