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. 2013 Jan 9;8(1):e53567. doi: 10.1371/journal.pone.0053567

Figure 7. Structural evidence for a flavin C(4a)-adduct.

Figure 7

(a) The AmPDH active site showing the relevant amino acids including the catalytic His-His pair. The FAD molecule is covalently linked through the C8M atom to His103 Nε2, and features a modification at the C(4a) locus. The adduct-stabilizing imidazole nitrogens of His512 and His556 are pictured with dashed lines indicating hydrogen bonds. (b) Zoom in at the monoatomic flavin-adduct species, presumably a covalently bound oxygen atom, overlaid by a 5000 K simulated annealing omit electron density map calculated using PHENIX [63], contoured at the 3σ level.