Elucidation of protein function using computational docking and hotspot analysis by ClusPro and FTMap

Jones, G.; Jindal, A.; Ghani, U.; Kotelnikov, S.; Egbert, M.; Hashemi, N.; Vajda, S.; Padhorny, D.; Kozakov, D.

doi:10.1107/S2059798322002741

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 3
Protein–protein docking with restraints. Docking results using ClusPro, both restrained and unrestrained. (a) The unrestrained docking results for the Bmi1/Ring1b–UbcH5c complex and nucleosome. The Bmi1/Ring1b–UbcH5c complex is bound to the DNA in this instance. (b) This is the number 2 ranked pose using restraints; it binds to the appropriate location and has a near-native pose.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 78| Part 6| June 2022| Pages 690-697

https://doi.org/10.1107/S2059798322002741

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