Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
The different amino acid residues involved in the various interactions.
| Ligand | Molecular Formula | Hydrophobic Interactions | Hydrogen Bonds | Salt Bridges | Vina Score (Kcal/mol) |
|---|---|---|---|---|---|
| Native | C20H31N4O16P | Phe314 & Arg336 | Gln57, Cys288, Gly310, Ser312, Glu335, Lys343, Asn376 | His56, Asp270, Asp287 | −8.7 |
| Inhibitor 1 | C19H27N7O2S | Trp80, Tyr89, Pro92, Phe314, Trp555 | His266, Gly310, Ser312, Glu335 | None | −9.9 |
| Inhibitor 2 | C18H14F3NSO2 | Trp80, Thr289, Phe314, Try550 | Asp287, Ser312, Tyr550 | None | −9.4 |
