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| PDB ID: 3tns Macromolecule: MAIN PROTEASE Source Organism: SARSr-CoV Gene names: - UniProt ID: P0C6U8 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3tns'
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. | 4E47_D_SAMD800_0 (HISTONE-LYSINEN-METHYLTRANSFERASESETD7) | S-Adenosylmethionine | 5 / 10 | ILE A 43GLU A 55GLY A 179ASN A 84HIS A 41 | 1.43A | 18.71 | NoneNoneNoneNoneG83 A 501 (-3.9A) | ||
| 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. | 4XLD_A_BRLA502_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Rosiglitazone | 5 / 12 | GLY A 23CYH A 22LEU A 57PHE A 66LEU A 27 | 1.52A | 21.92 | NoneNoneNoneNoneG83 A 501 ( 4.6A) | ||
| 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. | 4MGH_A_ACTA1320_0 (PHOSPHORIBOSYLFORMYLGLYCINAMIDINESYNTHASE) | Acetic acid | 4 / 5 | VAL A 212LEU A 220ILE A 259ARG A 217 | 0.98A | 12.48 | 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. | 5B8I_C_FK5C201_3 (PEPTIDYL-PROLYLCIS-TRANS ISOMERASE) | Tacrolimus | 5 / 12 | ASP A 48VAL A 186TYR A 54LEU A 57ILE A 43 | 1.63A | 16.50 | 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. | 6QYA_B_FOZB401_0 (THYMIDYLATE SYNTHASE) | Levoleucovorin | 5 / 12 | ILE A 259LEU A 242LEU A 253GLY A 251ALA A 206 | 1.55A | 22.69 | 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. | 3JB3_A_SAMA1102_1 (STRUCTURAL PROTEINVP3) | S-Adenosylmethionine | 3 / 3 | ARG A 60ASP A 48ASP A 56 | 1.19A | 14.61 | 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. | 4E47_A_SAMA401_0 (HISTONE-LYSINEN-METHYLTRANSFERASESETD7) | S-Adenosylmethionine | 5 / 11 | ILE A 43GLU A 55GLY A 179ASN A 84HIS A 41 | 1.39A | 18.71 | NoneNoneNoneNoneG83 A 501 (-3.9A) | ||
| 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. | 5TDZ_A_ADNA905_1 (ATP-CITRATE SYNTHASE) | Adenosine | 4 / 6 | ARG A 40ASP A 56LEU A 57ASP A 48 | 1.33A | 20.37 | 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. | 5HES_A_032A401_2 (MITOGEN-ACTIVATEDPROTEIN KINASEKINASE KINASE MLT) | Vemurafenib | 4 / 6 | PHE A 150LYS A 102SER A 113ASP A 153 | 1.40A | 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. | 4J83_A_SAMA401_0 (HISTONE-LYSINEN-METHYLTRANSFERASESETD7) | S-Adenosylmethionine | 5 / 11 | ILE A 43GLU A 55GLY A 179ASN A 84HIS A 41 | 1.41A | 20.32 | NoneNoneNoneNoneG83 A 501 (-3.9A) | ||
| 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. | 5J7W_D_MTXD402_1 (THYMIDYLATE SYNTHASE) | Methotrexate | 5 / 12 | ILE A 259LEU A 242LEU A 253GLY A 251ALA A 206 | 1.51A | 22.69 | 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. | 6HU9_H_PCFH604_0 (CYTOCHROME B-C1COMPLEX SUBUNIT 8CYTOCHROME C OXIDASEPOLYPEPTIDE 5A,MITOCHONDRIAL) | Colfosceril palmitate | 4 / 8 | GLY A 258VAL A 261GLY A 302ALA A 210 | 1.01A | 14.9216.33 | 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. | 1B02_A_C2FA281_0 (PROTEIN (THYMIDYLATESYNTHASE)) | Levomefolic acid | 5 / 11 | ILE A 259LEU A 242LEU A 253GLY A 251ALA A 206 | 1.60A | 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. | 4JDS_D_SAMD401_0 (HISTONE-LYSINEN-METHYLTRANSFERASESETD7) | S-Adenosylmethionine | 5 / 11 | ILE A 43GLU A 55GLY A 179ASN A 84HIS A 41 | 1.41A | 18.71 | NoneNoneNoneNoneG83 A 501 (-3.9A) | ||
| 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. | 1SV9_A_DIFA701_1 (PHOSPHOLIPASE A2) | Diclofenac | 4 / 8 | ALA A 210ILE A 213GLY A 2PHE A 291 | 1.17A | 16.77 | 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. | 6BP4_A_SAMA505_1 (HISTONE-LYSINEN-METHYLTRANSFERASE,H3 LYSINE-9 SPECIFIC) | S-Adenosylmethionine | 3 / 3 | ILE A 59ASN A 53CYH A 44 | 1.13A | 22.77 | NoneNoneG83 A 501 ( 3.9A) |