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. Author manuscript; available in PMC: 2013 Apr 12.
Published in final edited form as: J Med Chem. 2012 Mar 22;55(7):3387–3397. doi: 10.1021/jm300072d

Figure 2.

Figure 2

Comparison of interactions of Asn88 and Asp88 in PRN88D. PRWT/1 is colored gray and green, and PRN88D/1 is colored yellow and red. Hydrogen bond interactions are denoted by dotted lines with interatomic distances in Å. C-H…O interactions are denoted by dashed-dotted lines. Straight arrows denote a translational shift between the two Cα atoms. Curved arrows denote a rotation between side chains of the two structures. Red spheres represent water molecules. (A) Left panel, PRWT monomer 1′-99′; Right Panel, PRWT monomer 1-99. Both monomers 1-99 and 1′-99′ showed similar contacts for residue 88 with less than 0.1 Å difference in atomic position. (B) Left panel, PRN88D monomer 1′-99′. Right panel, superposition of PRWT and PRN88D monomer 1′-99′ illustrates a side chain rotation at Asp30′ and N88D′, and a backbone movement at Asp30′, Asp60′ and Thr74′ (6th and 7th β-strand). (C) Left panel, PRN88D monomer 1-99. Right panel, superposition of PRWT and PRN88D monomer 1-99 illustrates the inward rotation of the side chain N88D and backbone movement at Asp60 and Thr74.