Skip to main content
. 2017 Jul 18;22(7):1201. doi: 10.3390/molecules22071201

Table 2.

The result of the molecular docking of the isomers of soman into the sites Ser193 and Lys402 of albumin.

Binding Site Binding Parameters Stereoisomers of Soman
P(−)C(−) P(+)C(−) P(−)C(+) P(+)C(+)
Ser193 Kd, μM 518 ± 14 598 ± 5 787 ± 27 633 ± 7
dist(P-O(N)), nm 0.38 0.41 0.37 0.40
Lys402 Kd, μM 737 ± 27 902 ± 45 763 ± 25 1031 ± 70
dist(P-O(N)), nm 0.37 0.43 0.37 0.55

Kd—the dissociation constant of an obtained complex; dist (P-O(N))—the distance between the phosphorus atom of soman and the hydroxyl oxygen atom (nitrogen in the case of lysine) of an amino acid studied.