X-ray and cryo-EM structures of inhibitor-bound cytochrome bc1 complexes for structure-based drug discovery

Amporndanai, K.; Johnson, R.M.; O'Neill, P.M.; Fishwick, C.W.G.; Jamson, A.H.; Rawson, S.; Muench, S.P.; Hasnain, S.S.; Antonyuk, S.V.

doi:10.1107/S2052252518001616

Figure 5
Comparisons of the Q_i site. (a) The cryo-EM structures of bc₁–SCR0911 (cyan) and bc₁–GSK932121 (gold) overlaid. The SCR0911 inhibitor is coloured green and the GSK932121 inhibitor magenta. The overlay of the two structures shows there is no difference in the secondary-structure positions in the two maps and only minor differences in the positions of the amino-acid residues. The largest difference occurs for His201, which forms a hydrogen bond to SCR0911 but not GSK932121. (b) An overlay of the Q_i site of bc₁–GSK932121 in the cryo-EM (gold) and X-ray (purple) models. The density in gold corresponds to the EM map, which shows a difference in the position of His201 compared with the X-ray structure. (c) An overlay of the Q_i site of bc₁–SCR0911 in the cryo-EM (cyan) and X-ray (grey) models. There are no significant differences between the two models in either side-chain or secondary-structure positions.

IUCrJ

Volume 5| Part 2| March 2018| Pages 200-210

ISSN: 2052-2525

https://doi.org/10.1107/S2052252518001616

CRYO | EM

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