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 4
Global comparison between cryo-EM-derived and X-ray-derived SCR0911-bound structures. (a) The cryo-EM and X-ray bc₁–SCR0911 structures have been overlaid and the crystal structure is coloured according to the calculated C^α r.m.s.d. value (low coloured cyan and high coloured maroon). The main difference (r.m.s.d. of >2 Å) occurs for the Rieske domain (in the black square), which is known to be mobile during the catalytic cycle. (b) An overlay of the Rieske domains in the cryo-EM-derived (cyan) and X-ray-derived (grey) bc₁–SCR0911 structures. (c) The cryo-EM-derived map for the bc₁–SCR0911 structure with the Rieske domain fitted shown in the same orientation as in (a) and (b).

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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