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. Author manuscript; available in PMC: 2008 Dec 15.
Published in final edited form as: Arch Biochem Biophys. 2007 Oct 4;468(2):174–182. doi: 10.1016/j.abb.2007.07.032

Figure 6. A hierarchical docking result showing a low energy configuration of PNA (magenta) and 2EN (green).

Figure 6

A single 2EN and the PNA are in a “common-cavity” arrangement above the heme (red) shown in the common cavity. A second 2EN is shown in a “separate cavity” adjoining the heme binding site. The residues within 2.8 Å of 2EN and PNA in the closed cavity arrangement are PNA [E301,V367,I363,V477,G478] and 2EN[I101,V104, I114,I209,F297,E301,V367,V477]. The residues within 2.8 Å of 2EN and PNA in the separated cavity configuration are: PNA[V104,F115,F297,E301,I363,V367] and 2EN[H172,F203,F206,S207,S210, T306,L362,G478,N479,V480,I486]. Residues have been removed for clear visualization of the occupancy; both of these sites are buried.