Figure 5 - full size


Figure 5.
Fig. 5. Model of TNF binding to TNFR1 and TNFR2. Receptor binding interfaces of (a) wtTNF–TNFR1 (green–red); (b) R1-6–TNFR1 (white–red); (c) wtTNF–TNFR2 (green–blue); and (d) R1-6–TNFR2 (white–blue). The TNF–TNFR1 model complex was constructed from 1TNF (wtTNF) and 1TNR (LTα–TNFR1 complex). The predicted TNFR2 structure was constructed by side-chain mutation using the O program. In this simulation, the side chains of each structure were rotated to fit the predicted interaction. Stable structures of these rotamers were constructed using the O program. Steric hindrance might have occurred between His69 of TNFR1 and Arg32 of wtTNF in (a) (black arrowhead). Potential interactions are indicated by orange arrows. A cluster of anionic charged residues (Asp54, Glu57, and Glu70) is highlighted by a broken red line.

The above figure is reprinted by permission from Elsevier: J Mol Biol (2009, 385, 1221-1229) copyright 2009.