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| PDB ID: 2kqw Macromolecule: NSP3 Source Organism: SARSr-CoV Gene names: 1a UniProt ID: P0C6U8 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2kqw'
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. | 3N8X_B_NIMB1701_2 (PROSTAGLANDIN G/HSYNTHASE 1) | Nimesulide | 3 / 3 | VAL A 161VAL A 138SER A 142 | 0.84A | 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. | 5I8F_A_ML1A210_1 (PHENOLIC OXIDATIVECOUPLING PROTEIN) | Melatonin | 5 / 12 | LEU A 190VAL A 179PHE A 181HIS A 173VAL A 141 | 1.53A | 21.00 | 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. | 4JEC_B_478B401_3 (HIV-1 PROTEASE) | Amprenavir | 3 / 3 | ASP A 191LEU A 188VAL A 179 | 1.06A | 18.44 | 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. | 2Y6O_A_1N1A1892_1 (EPHRIN TYPE-ARECEPTOR 4) | Dasatinib | 5 / 12 | LYS A 165GLU A 134TYR A 172GLY A 160SER A 177 | 1.56A | 23.51 | 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. | 1Z2B_C_VLBC800_1 (TUBULIN BETA CHAINTUBULIN ALPHA CHAIN) | Vinblastine | 4 / 8 | VAL A 141TYR A 152TYR A 147LEU A 164 | 1.43A | 18.89 | 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. | 3FHX_B_PXLB313_1 (PYRIDOXAL KINASE) | Pyridoxal | 4 / 8 | VAL A 187HIS A 173THR A 174VAL A 138 | 0.80A | 20.99 | 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. | 5TRQ_B_ACTB307_0 (WELO5) | Acetic acid | 3 / 3 | GLU A 135HIS A 173VAL A 179 | 1.15A | 22.87 | 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. | 5X7Z_A_BHAA201_0 (UNCHARACTERIZEDHTH-TYPETRANSCRIPTIONALREGULATOR RV2887) | Aminosalicylic Acid | 4 / 6 | LEU A 193VAL A 171LEU A 183ARG A 166 | 1.23A | 22.60 | 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. | 1AZM_A_AZMA262_1 (CARBONIC ANHYDRASE I) | Acetazolamide | 4 / 8 | HIS A 182LEU A 175THR A 174HIS A 173 | 1.50A | 22.39 | 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. | 4Q0B_A_NVPA901_1 (HIV-1 REVERSETRANSCRIPTASE, P66SUBUNIT) | Nevirapine | 4 / 8 | LEU A 193VAL A 179TYR A 172LEU A 183 | 1.25A | 17.27 | 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. | 4PUO_C_NVPC901_1 (HIV-1 REVERSETRANSCRIPTASE, P66SUBUNIT) | Nevirapine | 4 / 8 | LEU A 193VAL A 179TYR A 172LEU A 183 | 1.29A | 17.27 | 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. | 1T88_B_CAMB2422_0 (CYTOCHROME P450-CAM) | Camphor | 4 / 5 | PHE A 137LEU A 164VAL A 171VAL A 179 | 1.64A | 18.85 | 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. | 2VMY_A_FFOA505_1 (SERINEHYDROXYMETHYLTRANSFERASE) | Levoleucovorin | 5 / 12 | LEU A 164GLY A 145SER A 142ALA A 144SER A 198 | 1.26A | 18.05 | 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. | 6IBL_A_H98A501_0 (THIOREDOXIN 1,BETA-1ADRENERGIC RECEPTOR) | Arformoterol | 5 / 12 | VAL A 138VAL A 141ASP A 191PHE A 181TYR A 147 | 1.67A | 19.95 | 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. | 1XDK_B_9CRB600_2 (RETINOIC ACIDRECEPTOR, BETA) | Alitretinoin | 3 / 3 | LEU A 190PHE A 137ARG A 166 | 0.99A | 19.48 | 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. | 1OQ5_A_CELA701_1 (CARBONIC ANHYDRASEII) | Celecoxib | 5 / 12 | GLU A 139VAL A 141PHE A 163VAL A 171LEU A 197 | 1.49A | 20.00 | 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. | 5IGZ_A_SPRA404_2 (MACROLIDE2'-PHOSPHOTRANSFERASE II) | Spiramycin | 5 / 9 | HIS A 136GLU A 162PHE A 163VAL A 171GLU A 134 | 1.76A | 20.83 | 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. | 1MJQ_H_SAMH200_0 (METHIONINE REPRESSOR) | S-Adenosylmethionine | 5 / 10 | HIS A 182PHE A 163LEU A 190GLU A 134PRO A 178 | 1.64A | 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. | 6MXT_A_K5YA1401_0 (ENDOLYSIN, BETA-2ADRENERGIC RECEPTORCHIMERA) | Salmeterol | 5 / 12 | VAL A 138VAL A 141ASP A 191PHE A 181TYR A 147 | 1.65A | 15.92 | 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. | 4BVA_A_T3A1314_1 (THIOMORPHOLINE-CARBOXYLATE DEHYDROGENASE) | Liothyronine | 5 / 12 | PHE A 137VAL A 179PHE A 163SER A 142GLU A 139 | 1.68A | 21.02 | 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. | 3AY0_B_ADNB402_1 (UNCHARACTERIZEDPROTEIN MJ0883) | Adenosine | 5 / 10 | PHE A 163GLY A 154VAL A 138LEU A 164PHE A 137 | 1.43A | 20.12 | 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. | 3CZV_A_AZMA263_1 (CARBONIC ANHYDRASE13) | Acetazolamide | 5 / 12 | HIS A 182VAL A 171THR A 174VAL A 179VAL A 141 | 1.37A | 22.26 | 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. | 3V81_C_NVPC901_1 (HIV-1 REVERSETRANSCRIPTASE P66SUBUNIT) | Nevirapine | 4 / 8 | LEU A 193VAL A 179TYR A 172LEU A 183 | 1.27A | 17.27 | 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. | 5M8R_A_MMSA511_1 (5,6-DIHYDROXYINDOLE-2-CARBOXYLIC ACIDOXIDASE) | Mimosine | 4 / 7 | HIS A 173LEU A 197VAL A 138SER A 142 | 1.54A | 18.57 | 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. | 2XN5_A_FUNA1356_1 (THYROXINE-BINDINGGLOBULIN) | Furosemide | 5 / 11 | SER A 153LEU A 193SER A 146LEU A 164LEU A 196 | 1.45A | 19.13 | 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. | 3OU7_B_SAMB300_1 (SAM-DEPENDENTMETHYLTRANSFERASE) | S-Adenosylmethionine | 3 / 3 | TYR A 172ASP A 184ASP A 168 | 1.51A | 21.56 | 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. | 5OM7_A_DM2A501_1 (ALPHA-1-ANTICHYMOTRYPSIN) | Epirubicin | 5 / 11 | VAL A 171LEU A 193PHE A 137GLU A 134VAL A 141 | 1.59A | 18.3319.27 | 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. | 2VMY_B_FFOB505_0 (SERINEHYDROXYMETHYLTRANSFERASE) | Levoleucovorin | 5 / 12 | LEU A 164GLY A 145SER A 142ALA A 144SER A 198 | 1.29A | 18.05 | 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. | 1J36_A_LPRA801_1 (ANGIOTENSINCONVERTING ENZYME) | Lisinopril | 5 / 12 | THR A 140GLU A 139HIS A 173VAL A 161TYR A 152 | 1.79A | 14.85 | 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. | 4AQL_A_TXCA1452_2 (GUANINE DEAMINASE) | Valaciclovir | 4 / 5 | HIS A 173LEU A 188LEU A 196ASP A 191 | 1.63A | 17.34 | 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. | 3W6H_A_AZMA303_1 (CARBONIC ANHYDRASE 1) | Acetazolamide | 4 / 8 | HIS A 182LEU A 175THR A 174HIS A 173 | 1.50A | 22.39 | 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. | 3QT0_A_486A4_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Mifepristone | 5 / 12 | SER A 142ALA A 144LEU A 164PHE A 181HIS A 173 | 1.79A | 22.58 | 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. | 1MJQ_B_SAMB200_0 (METHIONINE REPRESSOR) | S-Adenosylmethionine | 5 / 11 | HIS A 182PHE A 163LEU A 190GLU A 134PRO A 178 | 1.65A | 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. | 1FDU_D_ESTD352_1 (17-BETA-HYDROXYSTEROID DEHYDROGENASE) | Estradiol | 4 / 6 | VAL A 161GLY A 160LEU A 175GLU A 135 | 1.12A | 19.82 | 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. | 6AG0_A_ACRA608_0 (ALPHA-AMYLASE) | Acarbose | 4 / 6 | GLY A 160THR A 157GLN A 155TYR A 172 | 1.58A | 17.81 | 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. | 3QEL_D_QELD2_1 (NMDA GLUTAMATERECEPTOR SUBUNITGLUTAMATE [NMDA]RECEPTOR SUBUNITEPSILON-2) | Ifenprodil | 4 / 5 | TYR A 172THR A 174PHE A 181LEU A 183 | 1.67A | 19.73 | 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. | 6AJI_A_AY6A1001_0 (DRUG EXPORTERS OFTHE RNDSUPERFAMILY-LIKEPROTEIN,ENDOLYSIN) | Rimonabant | 6 / 12 | VAL A 187LEU A 188VAL A 171LEU A 197TYR A 147LEU A 196 | 1.70A | 11.18 | 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. | 3KEE_B_30BB500_2 (GENOME POLYPROTEIN) | Simeprevir | 3 / 3 | PHE A 181TYR A 147LEU A 159 | 1.33A | 20.83 | 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. | 1MJ2_A_SAMA2200_0 (PROTEIN (METHIONINEREPRESSOR)) | S-Adenosylmethionine | 5 / 12 | HIS A 182PHE A 163LEU A 190GLU A 134PRO A 178 | 1.68A | 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. | 2ZZM_A_SAMA401_0 (UNCHARACTERIZEDPROTEIN MJ0883) | S-Adenosylmethionine | 5 / 12 | PHE A 163GLY A 154VAL A 138LEU A 164PHE A 137 | 1.45A | 20.12 | 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. | 4PWD_C_NVPC901_1 (HIV-1 REVERSETRANSCRIPTASE, P66SUBUNIT) | Nevirapine | 4 / 8 | LEU A 193VAL A 179TYR A 172LEU A 183 | 1.34A | 17.27 | 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. | 4EM2_A_SALA503_1 (UNCHARACTERIZEDHTH-TYPETRANSCRIPTIONALREGULATOR SAR2349) | Salicylic acid | 4 / 6 | ARG A 166ILE A 170VAL A 171LEU A 183 | 1.26A | 22.07 | 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. | 3VHU_A_SNLA1001_2 (MINERALOCORTICOIDRECEPTOR) | Spironolactone | 4 / 5 | LEU A 196LEU A 197LEU A 190SER A 189 | 1.31A | 21.77 | 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. | 3E23_A_SAMA221_0 (UNCHARACTERIZEDPROTEIN RPA2492) | S-Adenosylmethionine | 5 / 12 | LEU A 164TYR A 152SER A 146LEU A 197HIS A 173 | 1.43A | 21.20 | 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. | 4FVQ_A_ACTA904_0 (TYROSINE-PROTEINKINASE JAK2) | Acetic acid | 3 / 3 | PHE A 181VAL A 138GLU A 135 | 1.53A | 21.74 | 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. | 2NV4_A_ACTA148_0 (UPF0066 PROTEINAF_0241) | Acetic acid | 3 / 3 | VAL A 179GLU A 134GLU A 180 | 1.40A | 21.00 | 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. | 3N8Y_A_DIFA701_1 (PROSTAGLANDIN G/HSYNTHASE 1) | Diclofenac | 5 / 11 | LEU A 164GLY A 145ALA A 144SER A 142LEU A 143 | 1.55A | 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. | 3V81_A_NVPA901_1 (HIV-1 REVERSETRANSCRIPTASE P66SUBUNIT) | Nevirapine | 4 / 8 | LEU A 193VAL A 179TYR A 172LEU A 183 | 1.27A | 17.27 | 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. | 5UL4_A_SAMA803_0 (OXSB PROTEIN) | S-Adenosylmethionine | 5 / 12 | ARG A 156GLY A 154GLU A 162ILE A 170LEU A 193 | 1.65A | 14.76 | 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. | 6APH_A_ADNA501_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | LEU A 143GLU A 139LEU A 164GLY A 154HIS A 173 | 1.71A | 20.97 | 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. | 3JX1_B_H4BB760_1 (NITRIC OXIDESYNTHASE, BRAIN) | Sapropterin | 4 / 8 | GLU A 176SER A 177ARG A 156VAL A 179 | 1.80A | 16.39 | 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. | 5H5F_A_SAMA301_0 (PROTEIN ARGININEN-METHYLTRANSFERASESFM1) | S-Adenosylmethionine | 5 / 12 | LEU A 164PHE A 163GLY A 185ARG A 166LEU A 197 | 1.26A | 22.09 | 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. | 4L49_A_CAMA502_0 (CAMPHOR5-MONOOXYGENASE) | Camphor | 4 / 5 | PHE A 137LEU A 164VAL A 171VAL A 179 | 1.57A | 19.05 | 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. | 4L4C_A_CAMA502_0 (CAMPHOR5-MONOOXYGENASE) | Camphor | 4 / 6 | PHE A 137LEU A 164VAL A 171VAL A 179 | 1.52A | 19.05 | 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. | 4HVC_B_HFGB1602_0 (BIFUNCTIONALGLUTAMATE/PROLINE--TRNA LIGASE) | Halofuginone | 5 / 12 | LEU A 197VAL A 141HIS A 182THR A 157GLY A 160 | 1.72A | 17.19 | 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. | 5HNZ_B_TA1B902_2 (TUBULIN BETA-2BCHAIN) | Paclitaxel | 3 / 3 | LEU A 183LEU A 193ARG A 156 | 1.05A | 18.64 | 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. | 2AVS_B_MK1B902_2 (POL POLYPROTEIN) | Indinavir | 3 / 3 | ASP A 191PRO A 178VAL A 179 | 0.94A | 18.50 | 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. | 3AIA_A_SAMA206_0 (UPF0217 PROTEINMJ1640) | S-Adenosylmethionine | 4 / 6 | LEU A 164GLY A 167LEU A 197SER A 198 | 1.43A | 21.24 | 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. | 3CE6_D_ADND500_2 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 4 / 5 | LEU A 159GLN A 155THR A 157LEU A 183 | 1.67A | 16.57 | 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. | 1IBG_H_OBNH1_1 (IGG2B-KAPPA 40-50FAB (HEAVY CHAIN)) | Ouabain | 4 / 6 | HIS A 173PHE A 163TYR A 147VAL A 161 | 1.74A | 21.93 | 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. | 4PWD_A_NVPA901_1 (HIV-1 REVERSETRANSCRIPTASE, P66SUBUNIT) | Nevirapine | 4 / 8 | LEU A 193VAL A 179TYR A 172LEU A 183 | 1.26A | 17.27 | 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. | 1MJO_C_SAMC200_0 (METHIONINE REPRESSOR) | S-Adenosylmethionine | 5 / 12 | HIS A 182PHE A 163LEU A 190GLU A 134PRO A 178 | 1.62A | 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. | 2Y05_A_RALA801_1 (PROSTAGLANDINREDUCTASE 1) | Raloxifene | 5 / 8 | VAL A 179SER A 195VAL A 141TYR A 147VAL A 171 | 1.58A | 20.48 | 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. | 4PGF_A_ADNA502_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | LEU A 143GLU A 139LEU A 164GLY A 154HIS A 173 | 1.60A | 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. | 3J6P_B_TA1B502_1 (TUBULIN BETA CHAIN) | Paclitaxel | 5 / 12 | GLU A 180HIS A 173SER A 177THR A 140LEU A 190 | 1.70A | 18.64 | 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. | 4YIA_B_IMNB401_1 (THYROXINE-BINDINGGLOBULIN) | Indomethacin | 5 / 10 | SER A 153LEU A 193SER A 151LEU A 164LEU A 196 | 1.46A | 19.73 | 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. | 1S9P_C_DESC500_1 (ESTROGEN-RELATEDRECEPTOR GAMMA) | Diethylstilbestrol | 5 / 12 | LEU A 196LEU A 193LEU A 190GLU A 134VAL A 179 | 1.37A | 22.58 | 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. | 3S8P_A_SAMA500_1 (HISTONE-LYSINEN-METHYLTRANSFERASESUV420H1) | S-Adenosylmethionine | 3 / 3 | HIS A 136SER A 142GLU A 139 | 1.57A | 18.48 | 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. | 5OGC_B_TA1B601_1 (TUBULIN BETA CHAIN) | Paclitaxel | 5 / 12 | GLU A 180HIS A 173SER A 177THR A 140LEU A 190 | 1.52A | 18.64 | 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. | 5HFJ_F_SAMF301_0 (ADENINE SPECIFIC DNAMETHYLTRANSFERASE(DPNA)) | S-Adenosylmethionine | 5 / 12 | THR A 157GLN A 155GLY A 154SER A 153SER A 142 | 1.74A | 21.03 | 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. | 5TUD_A_ERMA2001_1 (5-HYDROXYTRYPTAMINERECEPTOR 2B,SOLUBLECYTOCHROME B562CHIMERA) | Ergotamine | 5 / 12 | VAL A 161VAL A 141LEU A 190LEU A 193VAL A 171 | 1.24A | 18.43 | None |