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. 2019 Apr 15;29(8):1023–1029. doi: 10.1016/j.bmcl.2019.01.035

Fig. 1.

Fig. 1

Fascin structure and fragment 1 binding. A) Chemical structure of compound 1. B) Overall structure of fascin represented as a cartoon with the four β-trefoil domains colored differently and labelled. The bound compound 1 is shown as cyan spheres (PDB id 6I0Z). C) The interface between domains 1 and 2 in apo-fascin (PDB id 3P53)10. Domains are delineated by separate surfaces colored as in B) and labelled. Residues at the interface are shown as grey sticks and labelled with single-letter amino acid codes and residue numbers. D) Compound 1 bound to fascin, representation and view as in C) with the compound shown as cyan sticks. The structures were superimposed on domain 1 only. E) Detailed view of the binding site shown as a semi-transparent surface with surrounding protein residues drawn as sticks colored and labelled. Hydrogen bonds are shown as dashed pale green lines, other conventions as for D). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)