Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites

Mohamad, N.; O'Donoghue, A.; Kantsadi, A.L.; Vakonakis, I.

doi:10.1107/S2053230X21007378

Acta Crystallographica Section F
Acta Crystallographica
Section F STRUCTURAL BIOLOGY COMMUNICATIONS

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Figure 1
Overview of ligand binding to the PfHsp70-x ATPase domain. Shown here are the two ligand-interaction sites of the ATPase domain of PfHsp70-x identified by crystallographic fragment screening. (a) and (b) display the domain structure in perpendicular views, with the interaction sites highlighted. The main binding site (site 1) is proximal to the ATPase nucleotide-binding pocket. Ligands and the hydrolysed nucleotide bound to this domain, modelled as AMP-PN plus a leaving phosphate group, are shown as sticks.

STRUCTURAL BIOLOGY
COMMUNICATIONS

ISSN: 2053-230X

Volume 77| Part 8| August 2021| Pages 262-268

https://doi.org/10.1107/S2053230X21007378

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