Skip to main content
. 2014 Sep 15;9(9):e107729. doi: 10.1371/journal.pone.0107729

Figure 9. A, B and C binding pockets identified in MD averaged structure of different SIRT3 complexes.

Figure 9

(A) A and C pockets from the MD averaged structure of 10 frames over last 10 ps of ternary complex (SIRT3:Ac-CS2:NAD+, carbon in yellow green), reference NAD+ structure (carbon in white) from crystal structure 4FVT; (B) A, B and C pockets from the MD averaged structure of 10 frames over last 10 ps of SIRT3 complex with NAM (SIRT3:Ac-ACS2:NAD+:NAM, carbon in yellow), reference NAD+ structure (carbon in yellow green) from MD averaged structure over last 10 ps of SIRT3 ternary complex; (C) A, B and C pockets from the MD averaged structure of 10 frames over last 10 ps of SIRT3 complex with isoNAM (SIRT3:Ac-ACS2:NAD+:isoNAM, carbon in plum), reference NAD+ structure (carbon in yellow) from MD averaged structure over last 10 ps of SIRT3 complex with NAM.