Fig. 6

Prediction of C-1305, 4µ8C, and 3,6-DMAD binding mode in the and in the endoribonuclease (RNase) domain of IRE1α. The binding mode of a C-1305, b 4µ8C, and c 3,6-DMAD was modeled using the EDock server (https://zhanglab.ccmb.med.umich.edu/EDock/). The native and modeled structures of the IRE1 chain A are represented in green and yellow, respectively. ADP structure is represented by red, C-1305 by red sticks, 4µ8C by pink sticks, and 3,6-DMAD by sandy brown sticks. Predicting protein–ligand binding residues are represented by grey sticks together with oxygen, nitrogen, sulfur, and hydrogen atoms (colored red, blue, yellow, and white, respectively) and numbered according to IRE1α sequence (PDB ID code 4YZD). Magnesium ion (Mg) is colored by cornflower blue