Skip to main content
Figure 6 | BMC Structural Biology

Figure 6

From: Localization of putative binding sites for cyclic guanosine monophosphate and the anti-cancer drug 5-fluoro-2′-deoxyuridine-5′-monophosphate on ABCC11 in silico models

Figure 6

Structure of the ABCC11 complex for molecular dynamics simulation and RMSD calculations. (A) The inward facing model of ABCC11 was inserted in a phospholipid bilayer membrane surrounded by solvent. (B) 1D-RMSD of the ABCC11 complex during the dynamics simulation before (grey) and after (black) reaching equilibrium state. (C) 2D-RMSD calculations (X and Y axes represent the frames), carried out on 500 conformations selected with a stride of 2 from the 1000 produced during the indicated time simulation. The four steady-state conformations of each simulation are numbered. Warm colors (yellow and white) revealed steady state was reached.

Back to article page

BMC Structural Biology

ISSN: 1472-6807

Contact us