Table 3.
Active site residues of each ligand within 5 Å.
Compounds | Residues within 5 Å |
---|---|
NO3 | Thr24, Thr25, Thr26, Leu27, His41, Met49, Tyr54, Phe140, Leu141, Asn142, Gly143, Ser144, Cys145, His163, His164, Met165, Glu166, Leu167, Pro168, His172, Asp187, Arg188, Gln189, Thr190, Ala191, Gln192 |
CHOLEST-5-EN-3-OL (3.BETA.)- | Thr 24, Thr25, Thr26, Leu27, His41, Val42, Met49, Leu141, Asn142, Gly143, Ser144, Cys145, His163, His164, Met165, Glu166, Leu167, Pro168, Phe185, Val186, Asp187, Arg188, Gln189, Thr190, Ala191, Gln192, Ala193 |
1–2 Tetradecandiol | Thr24, Thr25, Thr26, Leu27, His41, Val42, Cys44, Asp48, Met49, Leu50, Pro51, Tyr54, Asn142, Gly143, Ser144, Cys145, His164, Met165, Glu166, Val186, Asp187, Arg188, Gln189 |
E,E,Z-1,3,12-Nonadecatriene-5,14-diol | Thr24, Thr25, Thr26, Leu27, His41, Val42, Met49, Gly143, Cys145, Tyr154, His164, Met165, Glu166, Leu167, Pro168, Val186, Asp187, Arg188, Gln189 |
Remdesivir | Thr24, Thr25, Thr26, Leu27, His41, Met49, Leu50, Phe140, Leu141, Asn142, Gly143, Ser144, Cys145, Gly146, His163, His164, Met165, Glu166, Leu167, Pro168, His172, Gln189, Thr190, Ala191 |