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 6
Protein mapping using FTMap. (a) The FTMap results for the N lobe of PDB entry 1h1w, with the PIF pocket in yellow, the ATP-binding pocket in magenta, the ATP molecule in red and adenosine in teal. (b) Mapping of the PIF binding pocket (yellow) with the bound ligand RF4 (teal).

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

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

https://doi.org/10.1107/S2059798322002741

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