Table 3 Docking interaction analysis of the best binding complex S2 and S8 siRNA with human Argonaute-2
Alias | RNA oligo sequences 21nt guide (5′ → 3′) | Docking score | Interacting residues in Ago2 domains | ||||
|---|---|---|---|---|---|---|---|
N-terminal (36–166) | L1 (176–226) | PAZ (238–365) | Mid (429–511) | PIWI (517–818) | |||
S2 | UAAAGUAGUACCAAAAAUCCA | − 300.17 | N/A | ALA221*# Thr222*# | LYS355 THR361 MET364 ILE365*# THR368 ARG375 | VAL434 TRP435 ASP436 ARG438 | GLY524*, LYS525 GLN548, LYS550 ASN551*, GLN553 ARG554, GLN558 ASN562, LYS566* THR599, HIS600 PRO601, PRO602 ALA603, LYS709*# ARG710*#, LYS726 HIS753, ALA754 ILE756, GLN757*# THR759*#, SER760 ARG761*#, ARG792*# ARG795, SER798*# HIS807, PHE811 TYR815 |
S10 | UUAAAAACUUCAUCAAAAGGG | − 350.23 | N/A | ASP218 VAL219 SER220* ALA221*# THR222*# ALA223 | ARG351* CYS352 LYS355 LEU356 THR357 ASP358 GLN360 THR361 MET364 ILE365*# THR368 ALA369 ARG375 | VAL434 TRP435 ASP436 ARG438 | LYS550, GLN558 ASN562, LEU565, LYS709*#, ARG710*# ARG714, LYS720 GLY725, LYS726 HIS753, ALA754 GLY755, ILE756 GLN757*#, GLY758 THR759*#, SER760 ARG761*#, TYR792*# CYS793, THR794 ARG795, SER796 VAL797, SER798*# ILE799, TYR804* |