Fig. 5: BtuG2 lid opening investigated by molecular dynamics. | Nature Communications

Fig. 5: BtuG2 lid opening investigated by molecular dynamics.

From: BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B12 uptake in gut Bacteroides

Fig. 5

a Free energy profile of BtuG2 lid opening as a function of the angle α. See text and Supplementary Fig. 9 for details. b, c Surface representations of the closed state of BtuB2G2 (b) and the maximum open state observed during simulations at 400 K (c). The opening angles listed are defined by the dashed lines. BtuG2 is in green and BtuB2 in cyan. d Surface representations of the closed and open states of B. theta Bt1762-63 (PDB ID 6ZM1) and P. gingivalis RagAB (PDB ID 6SMQ).

Back to article page