Extended Data Fig. 3: CCM-induced BMAL1 conformation changes.
From: Pharmacological targeting of BMAL1 modulates circadian and immune pathways
a, Three water molecules bind in hBMAL1(PASB)-apo structure through hydrogen-bond interaction with surrounding residues. b, Different binding mode for S-CCM and R-CCM in hBMAL1(PASB). c, Electron density maps. Left is the omit map. Center are maps with only S-CCM included in the model. Right are maps with only R-CCM included in the model. In each case, the 2Fo-Fc (blue) were set at 1.0 rmsd, and Fo-Fc maps (red for negative and green for positive) at 3.0 rmsd. d, CCM relocates strands βA and βB, in addition to helix αF. A hydrogen bond forms between His389 and the main chain of Ile346 after CCM bound. e, Conformation changes in the BMAL1(PASB) main chain upon CCM binding.
