Abstract

This work theoretically studied the mechanism involved in recognition of Gi protein and kappa opioid receptor with shape matching method. We used the human kappa opioid receptor model docking with dynorphin A(l- 8)(HKOR_DYN) to mimic the active form of HKOR. The modeling results suggested the cluster formed by A4, AS, AG and 86 in the alpha subunit of Gi protein (Gai) might be the binding core with intercellular solvent face of HKOR and some residues of the intracellular loops play an important role in Gi protein coupling.