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. Author manuscript; available in PMC: 2010 Aug 29.
Published in final edited form as: J Am Chem Soc. 2008 Mar 6;130(12):3900–3914. doi: 10.1021/ja0772041

Figure 3.

Figure 3

Results of GRID analysis of the substrate binding site of nNOS (PDB: 1p6i). The residues and cofactors (heme and H4B) are represented in an atom-type style. The S and M pockets are indicated. A: GRID contours of the C3 probe at an energy level of −3.50 kcal/mol. B: GRID contours of the N3+ probe at an energy level of −9.60 kcal/mol; “×” represents the position of the heme iron atom.