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. 2018 Aug 10;8:11968. doi: 10.1038/s41598-018-30361-5

Table 5.

Docking simulation of colistin binding to ligand-free HSA.

Pose Ligand-free HSA (PDB ID: 1AO6) Ligand-free HSA flex (PDB ID: 1AO6)
Affinity (kcal/mol) Site Affinity (kcal/mol) Site
1 −6.7 FA8 −7.9 FA8
2 −6.6 FA8 −7.8 FA8
3 −6.6 FA9 −7.4 FA8
4 −6.6 FA9 −7.4 FA8
5 −6.6 FA8 −7.4 FA9
6 −6.5 FA9 −7.3 FA8
7 −6.5 FA8 −7.3 FA9
8 −6.5 FA8 −7.3 FA9
9 −6.5 FA9 −7.3 FA8