Figure 3

MD studies: (A) COX-2–AA–heme complex showing loop of water molecules (1–11) connecting Fe to the peptide through (B) T383 (C) H386, corresponding to channel ‘a’ and ‘b’, respectively in Fig. 1C for the radical transfer from heme to Y385; (D) Connection of Fe with Y385 through H388-H386 corresponding to channel ‘c’ in Fig. 1C.