 |
| PDB ID: 6xdc Macromolecule: PROTEIN 3A Source Organism: SARS-CoV-2 Gene names: - UniProt ID: P0DTC3 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6xdc'
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. | 4C9O_A_CAMA423_0 (CYTOCHROME P450) | Camphor | 5 / 12 | ILE B 167THR B 164GLY A 172VAL A 225ILE B 232 | 1.34A | 20.73 | 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. | 2OCU_A_TYLA3001_1 (LACTOTRANSFERRIN) | Acetaminophen | 3 / 3 | LEU B 95TYR B 91GLY B 49 | 0.95A | 20.85 | 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. | 4C9L_A_CAMA1419_0 (CYTOCHROME P450) | Camphor | 5 / 12 | ILE B 167THR B 164GLY A 172VAL A 225ILE B 232 | 1.33A | 20.96 | 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. | 5DSG_A_0HKA1201_2 (MUSCARINICACETYLCHOLINERECEPTORM4,ENDOLYSIN,ENDOLYSIN,MUSCARINICACETYLCHOLINERECEPTOR M4) | Tiotropium | 3 / 3 | ASN A 82LEU B 53PHE A 87 | 1.07A | 21.29 | 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. | 4C9O_A_CAMA423_0 (CYTOCHROME P450) | Camphor | 5 / 12 | ILE A 167THR A 164GLY B 172VAL B 225ILE A 232 | 1.33A | 20.73 | 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. | 1H1D_A_SAMA301_0 (CATECHOL-O-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ASN B 144GLY A 187TYR B 145ASN A 161TYR B 189 | 1.38A | 19.58 | 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. | 5QGR_A_ACTA301_0 (PEROXISOMAL COENZYMEA DIPHOSPHATASENUDT7) | Acetic acid | 3 / 3 | VAL A 201TYR A 212GLN A 213 | 1.45A | 21.31 | 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 B 118MET B 125ARG B 126 | 1.19A | 21.90 | 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. | 5QGT_A_ACTA301_0 (PEROXISOMAL COENZYMEA DIPHOSPHATASENUDT7) | Acetic acid | 3 / 3 | VAL B 201TYR B 212GLN B 213 | 1.44A | 21.31 | 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. | 3NU4_B_478B401_2 (PROTEASE) | Amprenavir | 5 / 9 | LEU A 203GLY B 188ILE A 169GLY A 188ILE A 167 | 1.48A | 16.60 | 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. | 5DSG_A_0HKA1201_2 (MUSCARINICACETYLCHOLINERECEPTORM4,ENDOLYSIN,ENDOLYSIN,MUSCARINICACETYLCHOLINERECEPTOR M4) | Tiotropium | 3 / 3 | ASN B 82LEU A 53PHE B 87 | 1.14A | 21.29 | 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. | 5K4P_A_SORA611_0 (PROBABLEPHOSPHATIDYLETHANOLAMINE TRANSFERASEMCR-1) | Sorbitol | 4 / 6 | GLY A 224THR A 223SER B 216TYR B 215 | 1.29A | 20.96 | 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. | 5WZ1_C_SAMC601_0 (NS5METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | GLY B 174GLY B 172GLU B 226ASP A 238VAL A 237 | 1.42A | 20.81 | 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. | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | Hexachlorophene | 3 / 3 | TYR B 145TYR B 212ILE B 167 | 1.50A | 19.88 | 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. | 5QGK_A_ACTA301_0 (PEROXISOMAL COENZYMEA DIPHOSPHATASENUDT7) | Acetic acid | 3 / 3 | VAL B 201TYR B 212GLN B 213 | 1.43A | 21.31 | 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. | 5XIW_B_LOCB504_1 (TUBULIN ALPHA-1BCHAINTUBULIN BETA CHAIN) | Colchicine | 3 / 3 | SER B 40ALA B 98VAL B 97 | 1.14A | 19.43 | 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. | 4LNW_A_T3A501_2 (THYROID HORMONERECEPTOR ALPHA) | Liothyronine | 3 / 3 | ILE A 118MET A 125ARG A 126 | 1.19A | 21.90 | 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. | 3UA5_A_06XA501_1 (CYTOCHROME P450 2B6) | Amlodipine | 4 / 8 | ILE B 47SER B 58LEU A 108VAL A 112 | 1.39A | 20.55 | 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 B 62MET A 125ARG A 126 | 1.30A | 21.90 | 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. | 5QGK_A_ACTA301_0 (PEROXISOMAL COENZYMEA DIPHOSPHATASENUDT7) | Acetic acid | 3 / 3 | VAL A 201TYR A 212GLN A 213 | 1.43A | 21.31 | 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. | 5WZ1_C_SAMC601_0 (NS5METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | GLY A 174GLY A 172GLU A 226ASP B 238VAL B 237 | 1.42A | 20.81 | 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. | 3NU4_B_478B401_2 (PROTEASE) | Amprenavir | 5 / 9 | LEU B 203GLY A 188ILE B 169GLY B 188ILE B 167 | 1.48A | 16.60 | 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. | 5WZ1_D_SAMD601_0 (NS5METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | GLY A 174GLY A 172GLU A 226ASP B 238VAL B 237 | 1.42A | 20.81 | 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. | 5WZ1_D_SAMD601_0 (NS5METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | GLY B 174GLY B 172GLU B 226ASP A 238VAL A 237 | 1.42A | 20.81 | 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. | 3VRJ_A_1KXA301_1 (HLA CLASS IHISTOCOMPATIBILITYANTIGEN, B-57 ALPHACHAIN10-MER PEPTIDE) | Abacavir | 5 / 12 | TYR A 184TYR A 156TYR A 160THR A 151ILE A 167 | 1.43A | 20.835.77 | 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. | 3N8Y_A_DIFA701_1 (PROSTAGLANDIN G/HSYNTHASE 1) | Diclofenac | 5 / 11 | VAL A 88LEU A 46ILE B 47GLY B 49ALA B 51 | 1.35A | 18.51 | 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. | 2OCU_A_TYLA3001_1 (LACTOTRANSFERRIN) | Acetaminophen | 3 / 3 | LEU A 95TYR A 91GLY A 49 | 0.98A | 20.85 | 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. | 3KP6_A_SALA3002_1 (TRANSCRIPTIONALREGULATOR TCAR) | Salicylic acid | 4 / 8 | VAL B 50LEU B 53VAL A 88LEU A 53 | 0.85A | 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. | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | Hexachlorophene | 3 / 3 | TYR A 233TYR A 160ILE A 186 | 1.03A | 19.88 | 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. | 4C9L_A_CAMA1419_0 (CYTOCHROME P450) | Camphor | 5 / 12 | ILE A 167THR A 164GLY B 172VAL B 225ILE A 232 | 1.33A | 20.96 | 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. | 5K4P_A_SORA611_0 (PROBABLEPHOSPHATIDYLETHANOLAMINE TRANSFERASEMCR-1) | Sorbitol | 4 / 6 | GLY B 224THR B 223SER A 216TYR A 215 | 1.29A | 20.96 | 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. | 2JN3_A_JN3A131_2 (FATTY ACID-BINDINGPROTEIN, LIVER) | Ursodeoxycholic acid | 4 / 6 | ASN A 144GLN B 185ILE B 158PHE B 146 | 1.30A | 17.61 | 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. | 5DSG_A_0HKA1201_2 (MUSCARINICACETYLCHOLINERECEPTORM4,ENDOLYSIN,ENDOLYSIN,MUSCARINICACETYLCHOLINERECEPTOR M4) | Tiotropium | 3 / 3 | ASN A 82LEU B 53PHE A 56 | 1.30A | 21.29 | 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. | 2CL5_A_SAMA1217_0 (CATECHOLO-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ASN B 144GLY A 187TYR B 145ASN A 161TYR B 189 | 1.41A | 19.58 | 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. | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | Hexachlorophene | 3 / 3 | TYR A 145TYR A 212ILE A 167 | 1.50A | 19.88 | 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 118MET A 125ARG A 126 | 1.19A | 21.90 | 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. | 2JN3_A_JN3A131_2 (FATTY ACID-BINDINGPROTEIN, LIVER) | Ursodeoxycholic acid | 4 / 6 | ASN B 144GLN A 185ILE A 158PHE A 146 | 1.29A | 17.61 | 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. | 1H1D_A_SAMA301_0 (CATECHOL-O-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ASN A 144GLY B 187TYR A 145ASN B 161TYR A 189 | 1.39A | 19.58 | 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. | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | Hexachlorophene | 3 / 3 | TYR B 233TYR B 160ILE B 186 | 1.02A | 19.88 | 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. | 5QGT_A_ACTA301_0 (PEROXISOMAL COENZYMEA DIPHOSPHATASENUDT7) | Acetic acid | 3 / 3 | VAL A 201TYR A 212GLN A 213 | 1.44A | 21.31 | 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 B 62MET A 125ARG A 126 | 1.27A | 21.90 | 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. | 5QGR_A_ACTA301_0 (PEROXISOMAL COENZYMEA DIPHOSPHATASENUDT7) | Acetic acid | 3 / 3 | VAL B 201TYR B 212GLN B 213 | 1.45A | 21.31 | 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. | 6HLP_A_GAWA1501_0 (SUBSTANCE-PRECEPTOR,SUBSTANCE-PRECEPTOR) | Netupitant | 5 / 12 | ASN B 234ILE B 167ILE B 169ILE B 186PHE A 230 | 1.43A | 18.60 | 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. | 3N8Y_A_DIFA701_1 (PROSTAGLANDIN G/HSYNTHASE 1) | Diclofenac | 5 / 11 | VAL B 88LEU B 46ILE A 47GLY A 49ALA A 51 | 1.37A | 18.51 | 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. | 3FPJ_A_SAMA301_1 (PUTATIVEUNCHARACTERIZEDPROTEIN) | S-Adenosylmethionine | 4 / 6 | TYR A 233GLY A 196GLU A 194GLU A 181 | 1.40A | 21.30 | 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. | 6HLP_A_GAWA1501_0 (SUBSTANCE-PRECEPTOR,SUBSTANCE-PRECEPTOR) | Netupitant | 5 / 12 | ASN A 234ILE A 167ILE A 169ILE A 186PHE B 230 | 1.43A | 18.60 | 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 62MET B 125ARG B 126 | 1.27A | 21.90 | 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. | 3VRJ_A_1KXA301_1 (HLA CLASS IHISTOCOMPATIBILITYANTIGEN, B-57 ALPHACHAIN10-MER PEPTIDE) | Abacavir | 5 / 12 | TYR B 184TYR B 156TYR B 160THR B 151ILE B 167 | 1.44A | 20.835.77 | 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. | 2CL5_A_SAMA1217_0 (CATECHOLO-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ASN A 144GLY B 187TYR A 145ASN B 161TYR A 189 | 1.41A | 19.58 | 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. | 4RRZ_A_LURA705_1 (PROSTAGLANDIN G/HSYNTHASE 2) | Lumiracoxib | 5 / 12 | LEU A 85VAL B 50GLY B 49ALA B 51LEU A 108 | 1.43A | 20.42 | 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. | 3FPJ_A_SAMA301_1 (PUTATIVEUNCHARACTERIZEDPROTEIN) | S-Adenosylmethionine | 4 / 6 | TYR B 233GLY B 196GLU B 194GLU B 181 | 1.40A | 21.30 | 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. | 5DSG_A_0HKA1201_2 (MUSCARINICACETYLCHOLINERECEPTORM4,ENDOLYSIN,ENDOLYSIN,MUSCARINICACETYLCHOLINERECEPTOR M4) | Tiotropium | 3 / 3 | ASN B 82LEU A 53PHE B 56 | 1.37A | 21.29 | 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. | 5JSD_B_1GNB618_1 (PHIAB6 TAILSPIKE) | Glucosamine | 3 / 3 | THR A 164SER A 166TYR A 212 | 1.27A | 18.03 | None |