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. Author manuscript; available in PMC: 2012 Apr 25.
Published in final edited form as: J Chem Inf Model. 2011 Mar 18;51(4):807–815. doi: 10.1021/ci100386y

Figure 7. The fragment-residues interaction profile of fragment 0 (methoxy group) (A) and the surrounding residues of fragment 0 in the crystal structures of PDB 2GZ5 (B) and PDB 1B59 (C).

Figure 7

The structure of PDB 2GZ5 (B) shows the interactions between ovalicin and human type 1 methionine aminopeptidase, and the methoxy group (fragment 0) is surrounded by HIS303, HIS310 and CYS301 where HIS is in the 5th ranking position and CYS is in the 10th ranking position of its interaction profile. The structure of PDB 1B59 (C) shows the interactions between ovalicin and human type 2 methionine aminopeptidase, and the methoxy (fragment 0) is surrounded by HIS339, HIS331, GLY330, and ASN329 where ASN, GLY and HIS are in the 7th, 12th and 5th ranking positions of its interaction profile, respectively.