The 3D structure of ALX/FPR2 was constructed using SWISS-MODEL server (, with the structure of the type 1 angiotensin II receptor (Protein Data Bank ID: 4YAY) as template. The structures of RvDp5 (ZINC35876753, ZINC35876755, ZINC35876757, and ZINC35876759) and LXA4 (ZINC03873139, ZINC04556658, ZINC04556659, and ZINC04556660) were downloaded from the ZINC database ( by querying their Chemical Abstracts Service (CAS) registry number and prepared for dock by added charge with the University of California, San Francisco (UCSF) chimera program. These chemical structures were isomers of RvDp5 and LXA4, respectively. Molecular docking calculations were performed by using the UCSF DOCK6.5 program (18). The molecular surface of the ALX/FPR2 complex was computed with a probe radius of 1.4 Å, and spheres were generated from the molecular surface, with a maximum and minimum radius of 4.0 and 1.4 Å, respectively. The binding sites of RvDp5 and LXA4 with ALX/FPR2 were identified automatically using the largest binding cluster of ALX/FPR2 and located in extracellular domain. The docking pose was ranked on the basis of grid score, and then the amber-based energy scoring function in DOCK6.5 program was used to calculate molecular binding energies.

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