Ligand ID: 2UO


Drugbank ID:
DB06693
(Mevastatin)


Indication:
Not used therapeutically due to its many side effects.

Get human targets for 2UO in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '2UO' 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.
4OQR_A_2UOA502_1
(CYP105AS1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
1.77A16.45
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
1.76A20.04
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
1.76A20.04
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
VAL B  18
ILE B  78
VAL B  77
VAL B  73
ALA B  70
1.64A20.04
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PRO D 252
VAL D 247
ILE D 213
VAL D 296
ALA D 210
1.77A20.04
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
1.77A20.04
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PRO B 252
VAL B 247
ILE B 213
VAL B 296
ALA B 210
1.76A20.04
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PRO C 252
VAL C 247
ILE C 213
VAL C 296
ALA C 210
1.70A20.04
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
1.79A20.04
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m71 NSP12
(SARS-CoV-2)		5 / 9
VAL A 341
VAL A 373
ALA A 376
THR A 538
ALA A 379
1.71A17.90
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m71 NSP12
(SARS-CoV-2)		5 / 9
PRO A 328
VAL A 398
ILE A 536
ALA A 376
ALA A 382
1.70A17.90
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m71 NSP7
NSP8
(SARS-CoV-2)		5 / 9
ILE D 106
VAL D 115
ALA D 110
VAL C  66
ALA C  65
1.34A17.62
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m71 NSP12
(SARS-CoV-2)		5 / 9
PRO A 809
TRP A 800
VAL A 764
THR A 586
VAL A 588
1.76A17.90
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6m71 NSP12
(SARS-CoV-2)		5 / 9
TRP A 290
VAL A 182
ILE A 466
THR A 462
ALA A 250
1.80A17.90
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
PRO B 337
VAL B 395
ALA B 344
VAL B 511
ALA B 397
1.57A16.25
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6vxs NSP3
(SARS-CoV-2)		5 / 9
PRO B 125
VAL B  24
THR B  33
VAL B  30
ALA B  27
1.57A
None
None
NHE  B 203 ( 4.9A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6vxs NSP3
(SARS-CoV-2)		5 / 9
PRO A 125
VAL A  24
THR A  33
VAL A  30
ALA A  27
1.56A
None
None
NHE  A 202 ( 4.5A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
PRO C 337
VAL C 395
ALA C 344
VAL C 511
ALA C 397
1.61A16.03
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w02 NSP3
(SARS-CoV-2)		5 / 9
VAL B  49
ILE B 106
VAL B 100
VAL B  95
ALA B  38
1.45A18.10
APR  B 201 (-3.6A)
None
None
None
APR  B 201 (-3.4A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 9
VAL C 395
ILE C 410
VAL C 433
VAL C 341
ALA C 397
1.71A15.83
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 9
PRO C 337
VAL C 395
ALA C 344
VAL C 511
ALA C 397
1.54A15.83
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
1.77A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w6y NSP3
(SARS-CoV-2)		5 / 9
PRO B 125
VAL B  24
THR B  33
VAL B  30
ALA B  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w6y NSP3
(SARS-CoV-2)		5 / 9
PRO A 125
VAL A  24
THR A  33
VAL A  30
ALA A  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w6y NSP3
(SARS-CoV-2)		5 / 9
VAL A  49
ILE A 106
VAL A 100
VAL A  96
ALA A  38
1.74A
AMP  A 201 ( 3.7A)
None
None
None
AMP  A 201 ( 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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w6y NSP3
(SARS-CoV-2)		5 / 9
VAL A  95
ILE A  18
ALA A 154
VAL A  49
ALA A  38
1.79A
None
None
AMP  A 201 ( 4.5A)
AMP  A 201 ( 3.7A)
AMP  A 201 ( 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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w6y NSP3
(SARS-CoV-2)		5 / 9
VAL A  49
ILE A 106
VAL A 100
VAL A  95
ALA A  38
1.48A
AMP  A 201 ( 3.7A)
None
None
None
AMP  A 201 ( 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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w6y NSP3
(SARS-CoV-2)		5 / 9
VAL B  95
ILE B  18
ALA B 154
VAL B  49
ALA B  38
1.76A
None
None
None
None
MES  B 201 ( 3.4A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w75 NSP16
(SARS-CoV-2)		5 / 9
VAL A6865
ILE A7080
VAL A7057
ALA A7056
THR A7055
1.72A15.80
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6w75 NSP16
(SARS-CoV-2)		5 / 9
VAL C6865
ILE C7080
VAL C7057
ALA C7056
THR C7055
1.72A15.80
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wcf NSP3
(SARS-CoV-2)		5 / 9
PRO A 125
VAL A  24
THR A  33
VAL A  30
ALA A  27
1.51A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wcf NSP3
(SARS-CoV-2)		5 / 9
VAL A  49
ILE A 106
VAL A 100
VAL A  95
ALA A  38
1.46A
None
None
None
None
MES  A 201 (-3.6A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wcf NSP3
(SARS-CoV-2)		5 / 9
VAL A  95
ILE A  18
ALA A 154
VAL A  49
ALA A  38
1.75A
None
None
None
None
MES  A 201 (-3.6A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wen NSP3
(SARS-CoV-2)		5 / 9
VAL A  49
ILE A 106
VAL A 100
VAL A  96
ALA A  38
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wen NSP3
(SARS-CoV-2)		5 / 9
VAL A  49
ILE A 106
VAL A 100
VAL A  95
ALA A  38
1.47A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wen NSP3
(SARS-CoV-2)		5 / 9
VAL A  95
ILE A  18
ALA A 154
VAL A  49
ALA A  38
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wen NSP3
(SARS-CoV-2)		5 / 9
PRO A 125
VAL A  24
THR A  33
VAL A  30
ALA A  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wey NSP3
(SARS-CoV-2)		5 / 9
PRO A 329
VAL A 228
THR A 237
VAL A 234
ALA A 231
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 9
PRO B 121
VAL A  53
VAL B 130
THR B 141
ALA B 150
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wiq NSP8
(SARS-CoV-2)		5 / 9
PRO B 121
ILE B 106
THR B 141
VAL B 186
ALA B 188
1.39A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 9
ILE B 106
VAL B 115
ALA B 110
VAL A  66
ALA A  65
1.53A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 9
VAL A6865
ILE A7080
VAL A7057
ALA A7056
THR A7055
1.75A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 9
VAL C6865
ILE C7080
VAL C7057
ALA C7056
THR C7055
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wkq NSP16
(SARS-CoV-2)		5 / 9
VAL A6865
ILE A7080
VAL A7057
ALA A7056
THR A7055
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wkq NSP16
(SARS-CoV-2)		5 / 9
VAL C6865
ILE C7080
VAL C7057
ALA C7056
THR C7055
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
VAL C  49
ILE C 106
VAL C 100
VAL C  95
ALA C  38
1.51A
APR  C 201 (-3.8A)
None
None
None
APR  C 201 (-3.4A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
PRO C 125
VAL C  24
THR C  33
VAL C  30
ALA C  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
PRO B 125
VAL B  24
THR B  33
VAL B  30
ALA B  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
PRO A 125
VAL A  24
THR A  33
VAL A  30
ALA A  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
PRO D 125
VAL D  24
THR D  33
VAL D  30
ALA D  27
1.54A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wqd NSP8
(SARS-CoV-2)		5 / 9
PRO D 121
ILE D 106
THR D 141
VAL D 186
ALA D 188
1.36A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wqd NSP8
(SARS-CoV-2)		5 / 9
PRO B 121
ILE B 106
THR B 141
VAL B 186
ALA B 188
1.37A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 9
PRO B 121
VAL A  53
VAL B 130
THR B 141
ALA B 150
1.78A
None
EDO  B 302 ( 4.8A)
None
None
EDO  B 302 (-3.7A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 9
PRO D 121
VAL C  53
VAL D 130
THR D 141
ALA D 150
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 9
ILE B 106
VAL B 115
ALA B 110
VAL A  66
ALA A  65
1.51A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 9
ILE D 106
VAL D 115
ALA D 110
VAL C  66
ALA C  65
1.41A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 9
ILE D 106
VAL D 115
ALA D 110
VAL C  66
ALA C  65
1.39A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 9
ILE B 106
VAL B 115
ALA B 110
VAL A  66
ALA A  65
1.42A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 9
PRO D 121
ILE D 106
THR D 141
VAL D 186
ALA D 188
1.32A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 9
PRO B 121
ILE B 106
THR B 141
VAL B 186
ALA B 188
1.44A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 9
PRO D 121
VAL C  53
VAL D 130
THR D 141
ALA D 150
1.77A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 9
PRO B 121
VAL A  53
VAL B 130
THR B 141
ALA B 150
1.67A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
VAL E 395
ILE E 410
VAL E 433
VAL E 341
ALA E 397
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
1.77A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL E  95
ILE E  18
ALA E 154
VAL E  49
ALA E  38
1.78A
None
None
EDO  E 205 (-4.4A)
None
EPE  E 202 (-3.3A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL A  95
ILE A  18
ALA A 154
VAL A  49
ALA A  38
1.79A
None
None
None
None
EDO  A 202 (-3.3A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO A 125
VAL A  24
THR A  33
VAL A  30
ALA A  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL A  49
ILE A 106
VAL A 100
VAL A  95
ALA A  38
1.59A
None
None
None
None
EDO  A 202 (-3.3A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO E 125
VAL E  24
THR E  33
VAL E  30
ALA E  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO C 125
VAL C  24
THR C  33
VAL C  30
ALA C  27
1.49A
None
None
EDO  C 207 ( 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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO D 125
VAL D  24
THR D  33
VAL D  30
ALA D  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL B  49
ILE B 106
VAL B 100
VAL B  95
ALA B  38
1.53A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL B  49
ILE E 106
VAL E 100
ALA E 134
ALA B  50
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL C  95
ILE C  18
ALA C 154
VAL C  49
ALA C  38
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO B 125
VAL B  24
THR B  33
VAL B  30
ALA B  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO C 125
VAL C  24
THR C  33
VAL C  30
ALA C  27
1.50A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO A 125
VAL A  24
THR A  33
VAL A  30
ALA A  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO B 125
VAL B  24
THR B  33
VAL B  30
ALA B  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO E 125
VAL E  24
THR E  33
VAL E  30
ALA E  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL B  49
ILE E 106
VAL E 100
ALA E 134
ALA B  50
1.62A
APR  B 201 (-3.7A)
None
None
None
APR  B 201 (-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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO D 125
VAL D  24
THR D  33
VAL D  30
ALA D  27
1.51A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO A 125
VAL A  24
THR A  33
VAL A  30
ALA A  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL A  95
ILE A  18
ALA A 154
VAL A  49
ALA A  38
1.80A
None
None
None
None
MES  A 201 (-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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO B 125
VAL B  24
THR B  33
VAL B  30
ALA B  27
1.54A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL C  49
ILE C 106
VAL C 100
VAL C  95
ALA C  38
1.59A
None
None
None
None
MES  C 201 (-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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
PRO C 125
VAL C  24
THR C  33
VAL C  30
ALA C  27
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.
4OQR_A_2UOA502_1
(CYP105AS1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
VAL B  95
ILE B  18
ALA B 154
VAL B  49
ALA B  38
1.79A
None
None
EDO  B 202 (-4.3A)
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7btf NSP12
(SARS-CoV-2)		5 / 9
PRO A 328
VAL A 398
ILE A 536
ALA A 376
ALA A 382
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7btf NSP12
(SARS-CoV-2)		5 / 9
VAL A 341
VAL A 373
ALA A 376
THR A 538
ALA A 379
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7btf NSP12
(SARS-CoV-2)		5 / 9
TRP A 290
VAL A 182
ILE A 466
THR A 462
ALA A 250
1.75A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7btf NSP7
NSP8
(SARS-CoV-2)		5 / 9
ILE D 106
VAL D 115
ALA D 110
VAL C  66
ALA C  65
1.31A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7btf NSP12
(SARS-CoV-2)		5 / 9
VAL A 330
VAL A 373
ALA A 376
THR A 538
ALA A 379
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7btf NSP12
(SARS-CoV-2)		5 / 9
PRO A 809
TRP A 800
VAL A 764
THR A 586
VAL A 588
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 9
PRO A 252
VAL A 247
ILE A 213
VAL A 296
ALA A 210
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bv1 NSP12
(SARS-CoV-2)		5 / 9
PRO A 809
TRP A 800
VAL A 764
THR A 586
VAL A 588
1.73A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bv1 NSP12
(SARS-CoV-2)		5 / 9
VAL A 341
VAL A 373
ALA A 376
THR A 538
ALA A 379
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bv1 NSP12
(SARS-CoV-2)		5 / 9
PRO A 328
VAL A 398
ILE A 536
ALA A 376
ALA A 382
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 9
PRO B 121
VAL B 115
THR A 344
VAL A 342
ALA A 379
1.73A
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bv2 NSP12
(SARS-CoV-2)		5 / 9
VAL A 330
VAL A 373
ALA A 376
THR A 538
ALA A 379
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bv2 NSP12
(SARS-CoV-2)		5 / 9
PRO A 328
VAL A 398
ILE A 536
ALA A 376
ALA A 382
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bv2 NSP12
(SARS-CoV-2)		5 / 9
VAL A 341
VAL A 373
ALA A 376
THR A 538
ALA A 379
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 9
PRO B 121
ILE B 107
VAL B 115
THR A 344
ALA A 379
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.
4OQR_A_2UOA502_1
(CYP105AS1)		7bv2 NSP12
(SARS-CoV-2)		5 / 9
PRO A 809
TRP A 800
VAL A 764
THR A 586
VAL A 588
1.73A
None
MG  A1005 (-4.5A)
None
None
None