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| PDB ID: 3sne Macromolecule: 3C-LIKE PROTEINASEPEPTIDE ALDEHYDEINHIBITOR AC-ESTLQ-H Source Organism: SARSr-CoV Gene names: - UniProt ID: P0C6U8 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3sne'
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. | 5OG9_B_TESB502_1 (-) | Testosterone | 5 / 12 | LEU A 268LEU A 208TRP A 207ILE A 286LEU A 272 | 1.57A | 21.96 | 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. | 4N16_A_CHDA301_0 (CARBONIC ANHYDRASE 2) | Cholic Acid | 4 / 8 | HIS A 163HIS A 172PHE A 181THR H 3 | 1.31A | 23.24 | ECC H 5 ( 4.0A)NoneNoneECC H 5 ( 4.9A) | ||
| 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. | 5LJD_A_RTLA201_0 (RETINOL-BINDINGPROTEIN 1) | Vitamin A | 5 / 9 | LEU A 87THR A 25ILE A 43GLN A 189LEU H 4 | 1.41A | 20.13 | NoneNoneNoneNoneECC H 5 ( 4.5A) | ||
| 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_C_ADNC438_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 5 / 12 | LEU H 4HIS A 164ASP A 187LEU A 86GLY A 146 | 1.79A | 2.00 | ECC H 5 ( 4.5A)NoneNoneNoneNone | ||
| 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. | 2ROX_B_T44B128_1 (TRANSTHYRETIN) | Levothyroxine | 4 / 6 | LEU A 177GLU A 178LEU A 30THR A 35 | 1.30A | 19.12 | 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. | 4IKJ_B_SUZB201_1 (TRANSTHYRETIN) | Sulindac | 4 / 8 | ALA A 191LEU A 167SER H 2THR A 190 | 1.27A | 19.12 | 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. | 4IKL_A_SUZA201_1 (TRANSTHYRETIN) | Sulindac | 4 / 7 | ALA A 191LEU A 167SER H 2THR A 190 | 1.22A | 19.12 | 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. | 1AGM_A_ACRA495_1 (GLUCOAMYLASE-471) | Acarbose | 5 / 12 | ALA A 211ARG A 279ASP A 216GLY A 275GLU A 270 | 1.68A | 21.63 | 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. | 3CS9_D_NILD600_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE ABL1) | Nilotinib | 5 / 12 | ALA A 129VAL A 157ILE A 152THR A 111ALA A 7 | 1.34A | 20.72 | 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. | 1H4O_D_BEZD1162_0 (PEROXIREDOXIN 5) | Benzoic Acid | 5 / 9 | PRO A 241THR A 201LEU A 227PHE A 230THR A 243 | 1.66A | 21.99 | 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. | 6FHW_A_ACRA801_1 (GLUCOAMYLASE P) | Acarbose | 5 / 12 | ALA A 211ARG A 279ASP A 216GLY A 275GLU A 270 | 1.63A | 19.69 | 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. | 1T7I_A_017A200_1 (POL POLYPROTEIN) | Darunavir | 5 / 10 | LEU H 4GLY A 174ALA A 173GLY A 138THR H 3 | 1.43A | 16.67 | ECC H 5 ( 4.5A)NoneNoneNoneECC H 5 ( 4.9A) | ||
| 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. | 2BXM_A_IMNA2001_1 (SERUM ALBUMIN) | Indomethacin | 4 / 8 | SER H 2ALA A 173ARG A 40LEU A 27 | 1.19A | 5.32 | 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. | 3CFQ_B_DIFB1_1 (TRANSTHYRETIN) | Diclofenac | 4 / 7 | ALA A 191LEU A 167SER H 2THR A 190 | 1.23A | 17.78 | 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. | 1DVX_B_DIFB125_2 (TRANSTHYRETIN) | Diclofenac | 4 / 7 | ALA A 191LEU A 167SER H 2THR A 190 | 1.28A | 16.94 | 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. | 1NBI_C_SAMC2293_0 (GLYCINEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | GLY A 170THR A 169SER H 2GLY A 138HIS A 163 | 1.46A | 23.08 | NoneNoneNoneNoneECC H 5 ( 4.0A) | ||
| 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. | 3OZK_B_T44B128_1 (TRANSTHYRETIN) | Levothyroxine | 4 / 7 | ALA A 191LEU A 167SER H 2THR A 190 | 1.29A | 18.75 | 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. | 4IKJ_A_SUZA201_1 (TRANSTHYRETIN) | Sulindac | 4 / 7 | ALA A 191LEU A 167SER H 2THR A 190 | 1.27A | 19.12 | 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. | 3CFQ_A_DIFA1_1 (TRANSTHYRETIN) | Diclofenac | 4 / 6 | ALA A 191LEU A 167SER H 2THR A 190 | 1.17A | 17.78 | 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. | 1TYR_A_9CRA131_1 (TRANSTHYRETIN) | Alitretinoin | 4 / 6 | ALA A 191LEU A 167SER H 2THR A 190 | 1.23A | 19.12 | 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. | 3GGU_B_017B201_2 (PROTEASE) | Darunavir | 5 / 9 | LEU H 4GLY A 174ALA A 173GLY A 138THR H 3 | 1.42A | 6.90 | ECC H 5 ( 4.5A)NoneNoneNoneECC H 5 ( 4.9A) | ||
| 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. | 1CMC_B_SAMB105_0 (MET REPRESSOR) | S-Adenosylmethionine | 5 / 10 | ARG A 188LEU H 4LEU A 167ALA A 173GLY A 183 | 1.60A | 17.31 | NoneECC H 5 ( 4.5A)NoneNoneMES A2308 (-3.5A) | ||
| 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. | 4FGZ_B_CQAB302_0 (PHOSPHOETHANOLAMINEN-METHYLTRANSFERASE) | Amodiaquine | 4 / 8 | SER H 2TYR A 182ARG A 105GLY A 179 | 1.57A | 2.81 | NoneNoneMES A2308 (-3.6A)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. | 3R75_A_BEZA701_0 (ANTHRANILATE/PARA-AMINOBENZOATESYNTHASES COMPONENTI) | Benzoic Acid | 5 / 12 | GLY A 170THR A 169GLU A 166SER H 2THR H 3 | 1.47A | 18.49 | NoneNoneECC H 5 ( 3.9A)NoneECC H 5 ( 4.9A) | ||
| 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. | 4IKK_A_SUZA201_1 (TRANSTHYRETIN) | Sulindac | 4 / 8 | ALA A 191LEU A 167SER H 2THR A 190 | 1.22A | 19.12 | 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. | 1TYR_B_9CRB130_1 (TRANSTHYRETIN) | Alitretinoin | 4 / 7 | THR A 135ALA A 173LEU H 4VAL A 171 | 1.24A | 19.12 | NoneNoneECC H 5 ( 4.5A)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. | 1ICT_D_T44D129_1 (TRANSTHYRETIN) | Levothyroxine | 4 / 6 | ALA A 191LEU A 167SER H 2THR A 190 | 1.25A | 19.12 | 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. | 6A7J_A_TESA502_0 (CYTOCHROME P450) | Testosterone | 4 / 7 | PHE A 291LEU A 208ALA A 210ALA A 211 | 1.12A | 22.06 | 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. | 4IKL_B_SUZB201_1 (TRANSTHYRETIN) | Sulindac | 4 / 8 | ALA A 191LEU A 167SER H 2THR A 190 | 1.23A | 19.12 | 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. | 1AM6_A_HAEA555_1 (CARBONIC ANHYDRASE) | Acetohydroxamic Acid | 4 / 7 | HIS A 163HIS A 172LEU A 167THR H 3 | 1.57A | 23.08 | ECC H 5 ( 4.0A)NoneNoneECC H 5 ( 4.9A) | ||
| 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. | 3PS9_A_SAMA670_0 (TRNA5-METHYLAMINOMETHYL-2-THIOURIDINEBIOSYNTHESISBIFUNCTIONAL PROTEINMNMC) | S-Adenosylmethionine | 5 / 12 | PHE A 8ASP A 295GLY A 149PHE A 150ASN A 151 | 1.56A | 18.13 | 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. | 1OC3_B_BEZB201_0 (PEROXIREDOXIN 5) | Benzoic Acid | 5 / 9 | PRO A 241THR A 201LEU A 227PHE A 230THR A 243 | 1.65A | 22.30 | 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. | 5UUN_A_ACTA305_0 (GLUTATHIONES-TRANSFERASE-LIKEPROTEIN) | Acetic acid | 3 / 3 | THR H 3MET A 165HIS A 172 | 1.48A | 1.74 | ECC H 5 ( 4.9A)NoneNone | ||
| 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 H 4HIS A 164ASP A 187LEU A 86GLY A 146 | 1.77A | 1.89 | ECC H 5 ( 4.5A)NoneNoneNoneNone | ||
| 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. | 5X1F_J_CHDJ101_0 (CYTOCHROME C OXIDASESUBUNIT 1CYTOCHROME C OXIDASESUBUNIT 7A1,MITOCHONDRIAL) | Cholic Acid | 4 / 6 | LEU H 4TYR A 161THR A 135LEU A 167 | 1.54A | 0.587.69 | ECC H 5 ( 4.5A)NoneNoneNone | ||
| 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. | 4IKK_B_SUZB201_1 (TRANSTHYRETIN) | Sulindac | 4 / 7 | ALA A 191LEU A 167SER H 2THR A 190 | 1.26A | 19.12 | 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. | 2XCT_X_CPFX1020_1 (DNA GYRASE SUBUNITB, DNA GYRASESUBUNIT A) | Ciprofloxacin | 4 / 4 | ARG A 131GLY A 138GLU A 290SER H 2 | 1.65A | 18.36 | 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. | 3CS9_A_NILA600_2 (PROTO-ONCOGENETYROSINE-PROTEINKINASE ABL1) | Nilotinib | 5 / 12 | ALA A 129VAL A 157ILE A 152THR A 111ALA A 7 | 1.25A | 20.72 | None | ||
 Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4NJT_B_017B101_2 (PROTEASE) | Darunavir | 5 / 10 | LEU H 4GLY A 174ALA A 173GLY A 138THR H 3 | 1.44A | 42.86 | ECC H 5 ( 4.5A)NoneNoneNoneECC H 5 ( 4.9A) | ||
| 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. | 3CS9_C_NILC600_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE ABL1) | Nilotinib | 5 / 12 | ALA A 129VAL A 157ILE A 152THR A 111ALA A 7 | 1.24A | 20.72 | 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. | 4IKI_B_IMNB201_1 (TRANSTHYRETIN) | Indomethacin | 4 / 6 | ALA A 191LEU A 167SER H 2THR A 190 | 1.29A | 19.12 | None |