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| PDB ID: 3tiu Macromolecule: MAIN PROTEASE Source Organism: SARSr-CoV Gene names: - UniProt ID: P0C6U8 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3tiu'
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. | 3DZY_A_9CRA463_1 (RETINOIC ACIDRECEPTOR RXR-ALPHA) | Alitretinoin | 5 / 12 | ILE A 259ALA A 267PHE A 219LEU A 220LEU A 250 | 1.41A | 20.92 | 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. | 3HS4_A_AZMA702_1 (CARBONIC ANHYDRASE 2) | Acetazolamide | 4 / 7 | VAL A 233LYS A 236TYR A 237GLU A 270 | 1.43A | 23.24 | 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. | 3U9F_L_CLML221_0 (CHLORAMPHENICOLACETYLTRANSFERASE) | Chloramphenicol | 5 / 12 | PHE A 230CYH A 265THR A 199LEU A 205VAL A 261 | 1.41A | 24.09 | 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. | 3CLB_C_TMQC613_1 (DHFR-TS) | Trimetrexate | 5 / 12 | VAL A 171ILE A 200ASP A 197ILE A 106ILE A 136 | 1.47A | 19.59 | 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. | 6A5Y_D_9CRD501_0 (RETINOIC ACIDRECEPTOR RXR-ALPHA) | Alitretinoin | 6 / 12 | ILE A 259ALA A 267PHE A 219LEU A 220ILE A 213LEU A 250 | 1.63A | 22.01 | 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. | 1TDR_A_MTXA170_2 (TELLUROMETHIONYLDIHYDROFOLATEREDUCTASE) | Methotrexate | 3 / 3 | SER A 62ILE A 43THR A 26 | 0.92A | 18.39 | 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. | 2BYO_A_LNLA1217_1 (LIPOPROTEIN LPPX) | Alpha-Linolenic Acid | 4 / 4 | VAL A 233LEU A 220ILE A 259LEU A 208 | 1.22A | 21.61 | None |