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| PDB ID: 1ysy Macromolecule: REPLICASE POLYPROTEIN 1AB(PP1AB) (ORF1AB) Source Organism: SARSr-CoV Gene names: - UniProt ID: P0C6X7 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '1ysy'
1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.| DrReposER ID / Desc. | Drug | Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
|---|---|---|---|---|---|---|---|---|---|
 Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1G50_C_ESTC2600_1 (ESTROGEN RECEPTOR) | Estradiol | 5 / 11 | LEU A 19LEU A 57LEU A 61ILE A 70LEU A 78 | 1.74A | 15.73 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4OR0_B_NPSB603_1 (SERUM ALBUMIN) | Naproxen | 5 / 11 | SER A 56VAL A 18LEU A 19LEU A 42LEU A 57 | 1.66A | 10.90 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VLM_D_CVID301_1 (REGULATORY PROTEINTETR) | Gentian Violet | 4 / 8 | GLN A 65GLY A 66ILE A 70ASP A 69 | 1.27A | 19.57 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4PO0_A_NPSA603_1 (SERUM ALBUMIN) | Naproxen | 5 / 10 | LEU A 62VAL A 35LEU A 15LEU A 16VAL A 18 | 1.50A | 9.25 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2IZQ_A_DVAA8_0 (GRAMICIDIN D) | L-Valine | 3 / 3 | VAL A 55TRP A 31VAL A 35 | 1.26A | 28.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1TGM_A_AINA202_1 (PHOSPHOLIPASE A2) | Acetylsalicylic acid | 3 / 3 | LEU A 61ALA A 67ILE A 70 | 0.93A | 17.97 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3C6G_A_VD3A701_2 (CYTOCHROME P450 2R1) | Cholecalciferol | 3 / 3 | MET A 54VAL A 18GLU A 52 | 1.15A | 11.04 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1JG4_A_SAMA500_1 (PROTEIN-L-ISOASPARTATEO-METHYLTRANSFERASE) | S-Adenosylmethionine | 4 / 8 | GLU A 76GLU A 75ARG A 72ASP A 69 | 1.29A | 17.57 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4M11_D_MXMD606_1 (PROSTAGLANDIN G/HSYNTHASE 2) | Meloxicam | 5 / 12 | VAL A 24LEU A 62VAL A 35SER A 28LEU A 30 | 1.49A | 8.84 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5JQ7_B_T0RB705_1 (ENVELOPEGLYCOPROTEIN1,ENVELOPEGLYCOPROTEIN1,ENVELOPEGLYCOPROTEIN 1ENVELOPEGLYCOPROTEIN 2) | Toremifene | 4 / 7 | VAL A 55LEU A 19GLU A 52LEU A 78 | 0.98A | 17.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5V02_R_657R201_0 (CALMODULIN-1SMALL CONDUCTANCECALCIUM-ACTIVATEDPOTASSIUM CHANNELPROTEIN 2) | Riluzole | 5 / 10 | LEU A 15VAL A 14LEU A 57GLU A 52ILE A 41 | 1.28A | 21.9017.45 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3M7R_A_VDXA425_1 (VITAMIN D3 RECEPTOR) | Calcitriol | 5 / 12 | LEU A 57LEU A 61VAL A 60SER A 63VAL A 55 | 1.53A | 21.13 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3N8X_A_NIMA701_2 (PROSTAGLANDIN G/HSYNTHASE 1) | Nimesulide | 3 / 3 | VAL A 55SER A 59LEU A 78 | 1.01A | 11.13 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1NT2_A_SAMA301_1 (FIBRILLARIN-LIKEPRE-RRNA PROCESSINGPROTEIN) | S-Adenosylmethionine | 3 / 3 | THR A 83GLU A 75ASP A 69 | 1.31A | 17.14 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1YAJ_G_BEZG3385_0 (CES1 PROTEIN) | Benzoic Acid | 3 / 3 | SER A 59VAL A 18LEU A 19 | 1.22A | 9.27 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5NU7_A_RTLA201_0 (RETINOL-BINDINGPROTEIN 4) | Vitamin A | 4 / 8 | LEU A 58ALA A 67VAL A 35GLN A 20 | 1.33A | 17.13 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1KT6_A_RTLA184_0 (PLASMARETINOL-BINDINGPROTEIN) | Vitamin A | 5 / 11 | LEU A 16LEU A 58ALA A 67VAL A 35GLN A 20 | 1.41A | 23.70 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5NWV_A_ACAA18_1 (SCRFP-TAG,GP41) | Aminocaproic Acid | 5 / 12 | SER A 56LYS A 53ASN A 71LEU A 62LEU A 58 | 1.75A | 18.82 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA5_A_06XA502_1 (CYTOCHROME P450 2B6) | Amlodipine | 5 / 11 | LEU A 19LEU A 78GLU A 52PHE A 51VAL A 18 | 1.79A | 10.78 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2W8Y_A_486A1000_2 (PROGESTERONERECEPTOR) | Mifepristone | 4 / 7 | LEU A 15ASN A 39LEU A 43MET A 5 | 1.37A | 17.67 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1KT7_A_RTLA184_0 (PLASMARETINOL-BINDINGPROTEIN) | Vitamin A | 5 / 11 | LEU A 16LEU A 58ALA A 67VAL A 35GLN A 20 | 1.35A | 23.70 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5MXW_A_ML1A218_1 (CLASS 10 PLANTPATHOGENESIS-RELATEDPROTEIN) | Melatonin | 5 / 11 | LEU A 58VAL A 35ILE A 41LEU A 42VAL A 18 | 1.69A | 19.08 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VLM_C_CVIC301_1 (REGULATORY PROTEINTETR) | Gentian Violet | 4 / 7 | GLN A 65GLY A 66ILE A 70ASP A 69 | 1.42A | 19.57 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 7DFR_A_FOLA161_1 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 3 / 3 | ASP A 69LEU A 73ARG A 23 | 1.43A | 16.98 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4J26_B_ESTB600_1 (ESTROGEN RECEPTORBETA) | Estradiol | 5 / 12 | LEU A 15LEU A 57LEU A 61ILE A 70LEU A 78 | 1.62A | 18.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5HRQ_I_IPHI101_0 (INSULIN A-CHAININSULIN B-CHAIN) | Phenol | 4 / 6 | HIS A 38LEU A 16CYH A 34LEU A 58 | 1.51A | 14.1212.50 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3G1U_B_ADNB438_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | LEU A 42HIS A 38GLN A 85LEU A 16LEU A 15 | 1.74A | 11.96 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2AB2_B_SNLB503_2 (MINERALOCORTICOIDRECEPTOR) | Spironolactone | 4 / 5 | LEU A 15LEU A 19LEU A 61LEU A 57 | 1.32A | 16.97 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1KT4_A_RTLA184_0 (PLASMARETINOL-BINDINGPROTEIN) | Vitamin A | 5 / 12 | LEU A 16LEU A 58ALA A 67VAL A 35GLN A 20 | 1.37A | 23.70 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4X20_D_LOCD502_1 (TUBULIN ALPHA CHAINTUBULIN BETA CHAIN) | Colchicine | 3 / 3 | SER A 27ALA A 32VAL A 35 | 1.20A | 10.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6DH6_A_017A104_1 (PROTEASE) | Darunavir | 5 / 12 | LEU A 61GLY A 66ALA A 67ASP A 69LEU A 73 | 0.95A | 19.79 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4J24_B_ESTB600_1 (ESTROGEN RECEPTORBETA) | Estradiol | 5 / 12 | LEU A 19LEU A 15LEU A 57ILE A 70LEU A 78 | 1.69A | 18.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4DT8_B_ADNB401_1 (APH(2'')-ID) | Adenosine | 5 / 10 | SER A 63GLY A 66ALA A 67ILE A 70LEU A 19 | 1.58A | 13.17 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3BGD_B_PM6B302_1 (THIOPURINES-METHYLTRANSFERASE) | Mercaptopurine | 4 / 7 | HIS A 38LEU A 57LEU A 15LEU A 58 | 1.13A | 17.37 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4QZU_C_ACTC202_0 (RETINOL-BINDINGPROTEIN 2) | Acetic acid | 4 / 6 | GLU A 25GLN A 65TRP A 31LEU A 58 | 1.58A | 19.30 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5YVN_A_ACTA305_0 (GLUTATHIONES-TRANSFERASEOMEGA-1) | Acetic acid | 4 / 6 | LEU A 78GLN A 85LEU A 58LEU A 19 | 1.43A | 15.72 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4M11_B_MXMB606_1 (PROSTAGLANDIN G/HSYNTHASE 2) | Meloxicam | 5 / 12 | VAL A 24LEU A 78LEU A 19LEU A 61LEU A 57 | 1.42A | 8.84 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4L9I_A_8PRA601_1 (RHODOPSIN KINASE) | Paroxetine | 4 / 7 | VAL A 24LEU A 16MET A 64LEU A 30 | 1.31A | 10.75 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4LNW_A_T3A501_2 (THYROID HORMONERECEPTOR ALPHA) | Liothyronine | 3 / 3 | ILE A 70MET A 77ARG A 81 | 1.26A | 17.74 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2CML_A_ZMRA1478_1 (NEURAMINIDASE) | Zanamivir | 4 / 7 | SER A 27SER A 28GLN A 33TRP A 31 | 1.62A | 13.04 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2AB2_A_SNLA502_2 (MINERALOCORTICOIDRECEPTOR) | Spironolactone | 4 / 6 | LEU A 15LEU A 19LEU A 61LEU A 57 | 1.28A | 16.97 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3V5W_A_8PRA701_2 (G-PROTEIN COUPLEDRECEPTOR KINASE 2) | Paroxetine | 3 / 3 | LEU A 58MET A 54ASP A 40 | 1.07A | 10.25 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1N13_L_AG2L7014_1 (PYRUVOYL-DEPENDENTARGININEDECARBOXYLASE BETACHAINPYRUVOYL-DEPENDENTARGININEDECARBOXYLASE ALPHACHAIN) | Agmatine | 4 / 7 | ILE A 70MET A 77GLU A 76ARG A 23 | 1.55A | 18.3920.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2QMM_B_SAMB301_0 (UPF0217 PROTEINAF_1056) | S-Adenosylmethionine | 5 / 11 | LEU A 58GLY A 66SER A 56LEU A 57CYH A 34 | 1.21A | 23.89 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1GWR_A_ESTA600_1 (OESTROGEN RECEPTOR) | Estradiol | 5 / 10 | LEU A 19LEU A 15LEU A 57LEU A 61LEU A 78 | 1.70A | 15.79 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4LNX_A_T3A502_2 (THYROID HORMONERECEPTOR ALPHA) | Liothyronine | 3 / 3 | ILE A 70MET A 77ARG A 81 | 1.28A | 17.74 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4S0V_A_SUVA2001_1 (HUMAN OREXINRECEPTOR TYPE 2FUSION PROTEIN TO P.ABYSII GLYCOGENSYNTHASE) | Suvorexant | 5 / 12 | THR A 11VAL A 13THR A 47ILE A 41HIS A 38 | 1.74A | 11.47 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4A99_D_MIYD392_1 (TETX2 PROTEIN) | Minocycline | 4 / 5 | SER A 59GLN A 85SER A 56VAL A 60 | 1.41A | 13.52 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1P93_D_DEXD4999_2 (GLUCOCORTICOIDRECEPTOR) | Betamethasone | 4 / 5 | LEU A 16MET A 54LEU A 58GLN A 21 | 1.56A | 15.59 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1RBP_A_RTLA183_0 (PLASMARETINOL-BINDINGPROTEIN PRECURSOR) | Vitamin A | 5 / 12 | LEU A 16LEU A 58ALA A 67VAL A 35GLN A 20 | 1.32A | 17.13 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1YA3_A_STRA1001_2 (MINERALOCORTICOIDRECEPTOR) | Progesterone | 4 / 4 | LEU A 30LEU A 57SER A 59LEU A 19 | 1.56A | 16.73 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3R9C_A_ECLA451_1 (CYTOCHROME P450164A2) | Econazole | 5 / 10 | LEU A 37LEU A 42ILE A 41ALA A 50VAL A 18 | 1.05A | 12.41 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3E22_B_LOCB700_1 (TUBULIN ALPHA-1CCHAINTUBULIN BETA-2BCHAIN) | Colchicine | 3 / 3 | SER A 28ALA A 32VAL A 35 | 1.14A | 10.02 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4V1F_A_BQ1A1087_0 (F0F1 ATP SYNTHASESUBUNIT C) | Bedaquiline | 3 / 3 | GLU A 52ALA A 50PHE A 51 | 1.03A | 19.15 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3AI9_X_SAMX501_0 (UPF0217 PROTEINMJ1640) | S-Adenosylmethionine | 5 / 9 | LEU A 57ILE A 41SER A 59LEU A 58GLU A 52 | 1.44A | 19.81 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2BXG_A_IBPA2002_1 (SERUM ALBUMIN) | Ibuprofen | 4 / 8 | ALA A 82SER A 59LEU A 57VAL A 55 | 1.20A | 10.43 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1XKK_A_FMMA91_2 (EPIDERMAL GROWTHFACTOR RECEPTOR) | Lapatinib | 5 / 9 | LEU A 15VAL A 18CYH A 74LEU A 22LEU A 58 | 1.50A | 13.83 | None |