view article
Figure 4
(a) Overall structure of DAPK1 in complex with RSV and close-up view of the binding of RSV to the ATP-binding site (PDB entry 7ccu). The magenta mesh indicates the polder map (Liebschner et al., 2017BB55) for RSV contoured at 3.3σ. The black and gray dashed lines indicate hydrogen bonds and CH⋯π interactions, respectively. (b) Comparison of the binding modes of AMP-PNP (PDB entry 1jkk), RES (PDB entry 7ccu), PIC (PDB entry 7ccv) and RES+MES (PDB entry 7ccw). The C atoms of AMP-PNP, RSV, PIC and RSV+MES are colored purple, green, yellow and cyan, respectively. (b) The binding mode of PIC (PDB entry 7ccv). The polder map was contoured at 3.3σ and is shown as a magenta mesh. (d) Simultaneous binding of RES and MES (PDB entry 7ccw). The polder map was contoured at 3.3σ and is shown as a magenta mesh. (e) Comparison of the binding modes of RSV (PDB entry 7ccu), API (PDB entry 5auv) and morin (PDB entry 5auy) in their DAPK1 complexes. The C atoms of RSV, API and morin are colored green, slate blue and orange, respectively.

IUCrJ
Volume 8| Part 1| January 2021| Pages 131-138
ISSN: 2052-2525
https://doi.org/10.1107/S2052252520015614