. 2020 Aug 24;5(35):22637–22651. doi: 10.1021/acsomega.0c03428

Table 4. Comparative Analysis of the Binding Energy, K_d Values, and Interacting Residues for BA–mCCL2 and BA–hCCL2 Complexes.

ligand	protein	binding energy	K_d [nM]	interacting residues
baicalin	mCCL2 (monomer)	–6.54	270 ± 20	T16, S17, K18, M19, I20, R24, R49, V51
baicalin	hCCL2 (monomer)	–6.39	260 ± 20	T16, N17, R18, I20, R24, K49, E50, I51, C52

Table 4. Comparative Analysis of the Binding Energy, Kd Values, and Interacting Residues for BA–mCCL2 and BA–hCCL2 Complexes.