Ligand ID: RPB


Drugbank ID:
DB12332
(Rucaparib)


Indication:
Indicated as monotherapy for the treatment of patients with deleterious BRCA mutation (germline and/or somatic) associated advanced ovarian cancer who have been treated with two or more chemotherapies. Select patients for therapy based on an FDA-approved companion diagnostic for rucaparib.

Get human targets for RPB in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'RPB' AND SARS-COV-2 / COVID-19 STRUCTURES

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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.47A20.94
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.50A22.54
ELL  D   3 (-3.9A)
None
None
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6lzg SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY B 496
TYR B 451
SER B 494
TYR B 495
1.17A18.53
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		4 / 8
GLY E 496
TYR E 451
SER E 494
TYR E 495
1.36A18.53
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS B 163
GLY B 146
ALA B 116
SER B 147
1.53A22.54
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS D 163
GLY D 146
ALA D 116
SER D 147
1.53A22.54
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS C 163
GLY C 146
ALA C 116
SER C 147
1.54A22.54
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.49A22.54
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY C  35
TYR C  38
LYS C 206
GLU C 224
1.25A10.71
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6vxs NSP3
(SARS-CoV-2)		4 / 8
GLY B   8
TYR B  17
SER B   7
TYR B   9
1.76A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6vxs NSP3
(SARS-CoV-2)		4 / 8
GLY A   8
TYR A  17
SER A   7
TYR A   9
1.80A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6vxs NSP3
(SARS-CoV-2)		4 / 8
TYR A 152
ALA A  27
LYS A  29
GLU A  26
1.48A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6vxs NSP3
(SARS-CoV-2)		4 / 8
TYR B 152
ALA B  27
LYS B  29
GLU B  26
1.59A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY B  35
TYR B  38
LYS B 206
GLU B 224
1.30A11.31
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY C  35
TYR C  38
LYS C 206
GLU C 224
1.35A11.62
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
GLN C 409
GLU C 406
TYR C 423
ALA C 352
SER C 349
1.80A14.52
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
GLY C 496
TYR C 451
SER C 494
TYR C 495
1.26A19.74
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLY A7076
TYR A7009
ALA A6986
SER A7074
1.57A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.47A
X77  A 401 (-4.1A)
None
None
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6w75 NSP16
(SARS-CoV-2)		4 / 8
GLY C7076
TYR C7009
ALA C6986
SER C7074
1.57A19.84
None
NA  C7103 ( 4.8A)
None
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6w75 NSP10
(SARS-CoV-2)		4 / 8
TYR B4280
ALA D4273
LYS D4271
TYR B4283
1.72A17.03
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6w75 NSP16
(SARS-CoV-2)		4 / 8
GLY A7076
TYR A7009
ALA A6986
SER A7074
1.55A19.84
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6w75 NSP10
(SARS-CoV-2)		4 / 8
TYR D4280
ALA B4273
LYS B4271
TYR D4283
1.56A17.03
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wcf NSP3
(SARS-CoV-2)		4 / 8
GLY A   8
TYR A  17
SER A   7
TYR A   9
1.74A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wen NSP3
(SARS-CoV-2)		4 / 8
GLY A   8
TYR A  17
SER A   7
TYR A   9
1.68A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wey NSP3
(SARS-CoV-2)		4 / 8
GLY A 212
TYR A 221
SER A 211
TYR A 213
1.70A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY E 316
TYR F 298
ALA F 264
SER E 312
1.58A
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN C 303
GLY D 316
TYR C 298
ALA C 264
SER D 312
1.65A16.29
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN A 303
GLY B 316
TYR A 298
ALA A 264
SER B 312
1.65A16.29
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN F 303
GLY E 316
TYR F 298
ALA F 264
SER E 312
1.63A16.29
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN C 303
GLY D 316
TYR C 298
ALA C 264
SER D 312
1.66A16.29
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN E 303
GLY F 316
TYR E 298
ALA E 264
SER F 312
1.75A16.29
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN E 303
GLY F 316
TYR E 298
ALA E 264
SER F 312
1.74A16.29
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY F 316
TYR E 298
ALA E 264
SER F 312
1.63A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY B 316
TYR A 298
ALA A 264
SER B 312
1.61A
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN D 303
GLY C 316
TYR D 298
ALA D 264
SER C 312
1.70A16.29
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY D 316
TYR C 298
ALA C 264
SER D 312
1.60A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY A 316
TYR B 298
ALA B 264
SER A 312
1.59A
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN A 303
GLY B 316
TYR A 298
ALA A 264
SER B 312
1.64A16.29
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN F 303
GLY E 316
TYR F 298
ALA F 264
SER E 312
1.62A16.29
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLN D 303
GLY C 316
TYR D 298
ALA D 264
SER C 312
1.71A16.29
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
GLY C 316
TYR D 298
ALA D 264
SER C 312
1.63A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wjt NSP10
(SARS-CoV-2)		4 / 8
TYR B4280
ALA D4273
LYS D4271
TYR B4283
1.57A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLY C7076
TYR C7009
ALA C6986
SER C7074
1.57A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLY A7076
TYR A7009
ALA A6986
SER A7074
1.56A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wkq NSP16
(SARS-CoV-2)		4 / 8
GLY C7076
TYR C7009
ALA C6986
SER C7074
1.58A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wkq NSP10
(SARS-CoV-2)		4 / 8
TYR B4280
ALA D4273
LYS D4271
TYR B4283
1.59A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wkq NSP10
(SARS-CoV-2)		4 / 8
TYR D4280
ALA B4273
LYS B4271
TYR D4283
1.55A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wkq NSP16
(SARS-CoV-2)		4 / 8
GLY A7076
TYR A7009
ALA A6986
SER A7074
1.56A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.49A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A   8
TYR A  17
SER A   7
TYR A   9
1.71A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY C   8
TYR C  17
SER C   7
TYR C   9
1.70A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY B   8
TYR B  17
SER B   7
TYR B   9
1.74A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLY A7076
TYR A7009
ALA A6986
SER A7074
1.59A
None
None
8NK  A7103 ( 3.8A)
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.52A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
GLY A 256
LYS A 279
SER A 278
GLU A 280
1.70A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.48A20.94
DMS  A 405 (-3.9A)
None
None
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
GLY A  74
TYR A  71
ALA A  79
TYR A  46
1.80A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY E 496
TYR E 451
SER E 494
TYR E 495
1.24A
MLI  E 903 ( 4.4A)
None
MLI  E 903 (-4.6A)
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLY A 381
TYR B  52
SER B 103
TYR A 380
GLU B  57
1.77A18.01
None
None
None
None
MLI  B 302 (-4.4A)
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY A 496
TYR A 451
SER A 494
TYR A 495
1.43A
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLY A 381
TYR B  52
SER B 103
TYR A 380
GLU B  57
1.77A18.01
None
None
None
None
MLI  B 302 (-4.4A)
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY A 381
TYR B  52
TYR A 380
GLU B  57
1.33A
None
None
None
MLI  B 302 (-4.4A)
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLY E 381
TYR H  52
SER H 103
TYR E 380
GLU H  57
1.80A18.01
None
None
None
None
MLI  E 908 ( 4.4A)
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY A 381
TYR B  52
SER B 103
TYR A 380
1.71A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY E 496
TYR E 451
SER E 494
TYR E 495
1.27A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY E 381
TYR H  52
SER H 103
TYR E 380
1.79A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLY E 381
TYR H  52
TYR E 380
GLU H  57
1.26A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.50A
P6N  A 502 (-3.8A)
None
None
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLY A 431
TYR C 102
ALA A 411
LYS A 378
GLU B  57
1.79A17.22
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY E 496
TYR E 451
SER E 494
TYR E 495
1.25A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLY A 496
TYR A 451
SER A 494
TYR A 495
1.24A
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLY E 431
TYR L 102
ALA E 411
LYS E 378
GLU H  57
1.80A17.22
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLY A 381
TYR B  52
SER B 103
TYR A 380
GLU B  57
1.80A17.22
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLY A 431
TYR C 102
ALA A 411
LYS A 378
GLU B  57
1.80A17.22
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLY E 431
TYR L 102
ALA E 411
LYS E 378
GLU H  57
1.80A17.22
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
GLY A 381
TYR B  52
SER B 103
TYR A 380
GLU B  57
1.80A17.22
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.53A
DMS  A 403 (-4.1A)
None
None
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 258
ALA A 260
SER A 254
TYR A 209
1.78A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY D   8
TYR D  17
SER D   7
TYR D   9
1.65A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY D  78
LYS D 110
SER D 111
GLU A 114
1.69A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY C   8
TYR C  17
SER C   7
TYR C   9
1.77A
EDO  C 203 (-4.2A)
EDO  C 203 ( 4.2A)
None
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY A  78
LYS A 110
SER A 111
GLU D 114
1.67A
None
None
EDO  D 202 (-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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY E   8
TYR E  17
SER E   7
TYR E   9
1.72A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY D   8
TYR D  17
SER D   7
TYR D   9
1.70A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY B   8
TYR B  17
SER B   7
TYR B   9
1.74A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY D  78
LYS D 110
SER D 111
GLU A 114
1.69A
None
None
EDO  A 206 (-3.3A)
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY E   8
TYR E  17
SER E   7
TYR E   9
1.73A
EDO  E 203 (-4.8A)
None
None
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY A   8
TYR A  17
SER A   7
TYR A   9
1.75A
EDO  A 202 ( 4.5A)
EDO  A 202 ( 4.8A)
None
EDO  A 202 (-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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY C   8
TYR C  17
SER C   7
TYR C   9
1.70A
EDO  C 204 ( 3.9A)
EDO  C 204 ( 4.5A)
None
EDO  C 204 ( 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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY C  78
LYS C 110
SER C 111
GLU A 114
1.70A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY A  78
LYS A 110
SER A 111
GLU C 114
1.68A
None
None
EDO  C 205 (-3.5A)
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
GLY B   8
TYR B  17
SER B   7
TYR B   9
1.65A
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 163
GLY A 146
ALA A 116
SER A 147
1.50A
DMS  A 402 (-3.9A)
None
None
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
HIS A 752
ALA A 747
TYR A 719
GLU A 744
1.79A
None