A computational study of the chemokine receptor CXCR1 bound with interleukin-8

Wang Yang¹, Severin Lupala Cecylia¹, Wang Ting², Li Xuanxuan^{1, 3}, Yun Ji-Hye⁴, Park Jae-hyun⁴, Jin Zeyu⁴, Lee Weontae⁴, Tan Leihan^{1, 5}, Liu Haiguang^{1, †}

(color online) The structure and dynamics of CXCR4-vMIP-II complex. (a), (b) 2D RMSD of CXCR4-vMIP-II complex with N terminal (a) and without N terminal (b). (c) The RMSF of vMIP-II for CXCR4-vMIP-II complex with N terminal (blue) and without N terminal (orange). Final structures of CXCR4-vMIP-II complex with N terminal (d) and without N terminal (e). (f) Distance between all the salt bridge pairs at the interface of the CXCR4-vMIP-II complex structure (PDB ID 4RWS). The distance curve was smooth by the window of 10 ns.