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. 2014 Apr 3;54(5):1412–1424. doi: 10.1021/ci5000517

Figure 8.

Figure 8

Protonation state V. (a) The interactions are depicted between active site residues and the carboxylate of benzylpenicillin. (b) The carbonyl forms a hydrogen bond with Thr301. (c) The interactions shown stabilize O4 and the H–N group of the benzylpenicillin tail. (d) The graph shows the distance measured between Arg285 and O2(blue)/O3(red).