Extended Data Fig. 7: The binding pocket of Org43553 in the top half of the TMD.
From: Structures of full-length glycoprotein hormone receptor signalling complexes
a, Two views of the Org43553-binding pocket in the representative structures of molecular dynamics Simulation 1 and 2. Org43553 is shown as sticks, and LHCGR is depicted by surface. b, The interactions between I585, S604 and Org43553 in the cryo-EM structure and the representative structures of simulation 1 and simulation 2. Org43553 is shown as sticks, and LHCGR is shown as cartoon. c, The time-course curve of the shortest distance between the heavy atoms of I585, S604 and Org43553 during simulation 1 and 2. d, The distribution of the root mean square deviation (RMSD) from the cryo-EM ligand pose in simulations of Org43553-bound LHCGR system. e, Comparison of the Org43553-binding pocket with other agonist-binding pockets of class A GPCRs. β2AR (PDB code: 3SN6); β1AR (PDB code: 2Y03); A2aR (PDB code: 3QAK); 5HT1B (PDB code: 4IAR); Org43553, tomato; β2AR-agonist, yellow; β1AR-agonist, cyan; A2aR-agonist, lime green; 5HT1B-agonist, magenta.
