Ligand ID: UEG Drugbank ID: DB00165(Pyridoxine) Indication:Pyridoxine is indicated for the treatment of vitamin B6 deficiency and for the prophylaxis of [DB00951]-induced peripheral neuropathy. It is also approved by Health Canada for the treatment of nausea and vomiting in pregnancy in a combination product with [DB00366] (as the commercially available product Diclectin). |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 5EB3_A_UEGA202_1 (YFIR) | 6m0j | SPIKE RECEPTORBINDING DOMAIN (SARS-CoV-2) | 4 / 4 | LEU E 368ILE E 434PRO E 384LEU E 387 | 1.70A | 28.14 | None | ||
![]() | 5EB3_A_UEGA202_1 (YFIR) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 4 | LEU A 90ILE A 201PRO A 232LEU A 205 | 1.64A | 10.86 | None | ||
![]() | 5EB3_A_UEGA202_1 (YFIR) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | LEU A 368ILE A 434PRO A 384LEU A 387 | 1.64A | 8.33 | None | ||
![]() | 4C5L_C_UEGC300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6vww | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 10 | ASP B 107ALA B 109VAL B 102VAL B 122CYH B 117 | 1.73A | 22.22 | None | ||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6vww | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 11 | ASP B 107ALA B 109VAL B 102VAL B 122CYH B 117 | 1.71A | 22.22 | None | ||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6vww | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 10 | ASP B 107ALA B 109VAL B 102VAL B 122CYH B 117 | 1.65A | 22.22 | None | ||
![]() | 5EB3_A_UEGA202_1 (YFIR) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | LEU C 368ILE C 434PRO C 384LEU C 387 | 1.72A | 7.95 | NAG C1307 (-4.9A)NoneNoneNone | ||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w4h | NSP10NSP16 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.69A | 21.18 | NoneNoneSAM A7102 (-4.1A)NoneNone | ||
![]() | 4C5L_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.75A | NoneNoneSAM A7104 (-4.4A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.65A | NoneNoneSAM A7104 (-4.4A)NoneNone | |||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 11 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.78A | NoneNoneSAM A7104 (-4.4A)NoneNone | |||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 11 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.67A | NoneNoneSAM A7104 (-4.4A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.79A | NoneNoneSAM A7104 (-4.4A)NoneNone | |||
![]() | 4C5L_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.61A | NoneNoneSAM A7104 (-4.4A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 5 / 10 | GLY C6875ALA C6870GLY C6871VAL C6902VAL D4295 | 1.68A | 20.66 | NoneNoneSAM C7105 ( 4.2A)NoneNone | ||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.80A | 20.66 | NoneNoneSAM A7102 ( 4.2A)NoneNone | ||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.68A | 20.66 | NoneNoneSAM A7102 ( 4.2A)NoneNone | ||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 11 | GLY C6875ALA C6870GLY C6871VAL D4295HIS C6867 | 1.77A | NoneNoneSAH C7102 (-4.4A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.62A | NoneNoneSAH A7102 (-4.4A)NoneNone | |||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 11 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.64A | NoneNoneSAH A7102 (-4.4A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY C6875ALA C6870GLY C6871VAL C6902VAL D4295 | 1.65A | NoneNoneSAH C7102 (-4.4A)NoneNone | |||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 11 | GLY C6875ALA C6870GLY C6871VAL C6902VAL D4295 | 1.66A | NoneNoneSAH C7102 (-4.4A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY C6875ALA C6870GLY C6871VAL D4295HIS C6867 | 1.78A | NoneNoneSAH C7102 (-4.4A)NoneNone | |||
![]() | 4C5L_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY C6875ALA C6870GLY C6871VAL D4295HIS C6867 | 1.74A | NoneNoneSAH C7102 (-4.4A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.77A | NoneNoneSAH A7102 (-4.4A)NoneNone | |||
![]() | 4C5L_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.74A | NoneNoneSAH A7102 (-4.4A)NoneNone | |||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 11 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.77A | NoneNoneSAH A7102 (-4.4A)NoneNone | |||
![]() | 4C5L_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY C6875ALA C6870GLY C6871VAL C6902VAL D4295 | 1.61A | NoneNoneSAH C7102 (-4.4A)NoneNone | |||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 5 / 11 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.77A | NoneNoneSFG A7103 ( 4.2A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 5 / 10 | GLY C6875ALA C6870GLY C6871VAL D4295HIS C6867 | 1.79A | NoneNoneSFG C7103 ( 4.1A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.78A | NoneNoneSFG A7103 ( 4.2A)NoneNone | |||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 5 / 11 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.66A | NoneNoneSFG A7103 ( 4.2A)NoneNone | |||
![]() | 4C5L_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.74A | NoneNoneSFG A7103 ( 4.2A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 5 / 10 | GLY C6875ALA C6870GLY C6871VAL C6902VAL D4295 | 1.67A | NoneNoneSFG C7103 ( 4.1A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.64A | NoneNoneSFG A7103 ( 4.2A)NoneNone | |||
![]() | 4C5L_C_UEGC300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 10 | ASP B 107ALA B 109VAL B 102VAL B 122CYH B 117 | 1.74A | 22.07 | None | ||
![]() | 4C5L_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 10 | ASP A 107ALA A 109VAL A 102VAL A 122CYH A 117 | 1.76A | None | |||
![]() | 4C5L_C_UEGC300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 10 | ASP A 107ALA A 109VAL A 102VAL A 122CYH A 117 | 1.77A | 22.07 | None | ||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 10 | ASP A 107ALA A 109VAL A 102VAL A 122CYH A 117 | 1.69A | None | |||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 11 | ASP B 107ALA B 109VAL B 102VAL B 122CYH B 117 | 1.73A | None | |||
![]() | 5EB3_A_UEGA202_1 (YFIR) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 4 | LEU A 120ILE A 116PRO B 119LEU B 120 | 1.80A | 19.32 | None | ||
![]() | 4C5L_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 10 | ASP B 107ALA B 109VAL B 102VAL B 122CYH B 117 | 1.74A | None | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 10 | ASP B 107ALA B 109VAL B 102VAL B 122CYH B 117 | 1.67A | None | |||
![]() | 4C5L_A_UEGA300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 11 | ASP A 107ALA A 109VAL A 102VAL A 122CYH A 117 | 1.75A | None | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wq3 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL A6902VAL B4295 | 1.63A | NoneNoneSAH A7101 (-4.3A)NoneNone | |||
![]() | 4C5N_D_UEGD300_1 (PHOSPHOMETHYLPYRIMIDINE KINASE) | 6wq3 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 10 | GLY A6875ALA A6870GLY A6871VAL B4295HIS A6867 | 1.79A | NoneNoneSAH A7101 (-4.3A)NoneNone | |||
![]() | 5EB3_A_UEGA202_1 (YFIR) | 7btf | NSP12 (SARS-CoV-2) | 4 / 4 | LEU A 90ILE A 201PRO A 232LEU A 205 | 1.46A | 10.86 | None | ||
![]() | 5EB3_A_UEGA202_1 (YFIR) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 4 | LEU A 90ILE A 201PRO A 232LEU A 205 | 1.67A | 10.84 | None | ||
![]() | 5EB3_A_UEGA202_1 (YFIR) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 4 | LEU A 90ILE A 201PRO A 232LEU A 205 | 1.48A | 10.84 | None |