Ligand ID: THR


Drugbank ID:
DB00156
(L-Threonine)


Indication:
L-Threonine makes up collagen, elastin, and enamel protein. It aids proper fat metabolism in the liver, helps the digestive and intestinal tracts function more smoothly, and assists in metabolism and assimilation.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'THR' 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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5r82 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.15A20.57
DMS  A1003 ( 4.5A)
None
None
DMS  A1003 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 183
ALA A 173
THR A 169
ASN A 133
1.68A20.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.34A20.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 174
ALA A 173
GLN A 192
THR A 190
1.60A20.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 110
THR A 292
ASN A 151
ILE A 106
1.76A20.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.14A20.21
DMS  A 402 ( 4.5A)
None
None
DMS  A 402 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6lvn SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 8
ASP D  17
GLU D  15
GLN D  13
ASN D  20
ILE D  16
1.79A13.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.20A20.77

None
None
None
DMS  A 402 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.38A20.77

None
None
None
DMS  A 401 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.20A20.70

DMS  A 404 ( 4.8A)
None
None
DMS  A 404 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.37A20.70

None
None
None
DMS  A 402 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.30A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY C 124
ALA A   7
THR A 111
1.46A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY B 183
ALA B 173
THR B 169
ASN B 133
1.59A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP B 295
GLY D 124
ALA B   7
THR B 111
1.46A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.07A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
ASP A 216
PHE A 305
GLY C 170
GLY A   2
1.68A22.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP C 295
GLY C 109
ALA C 129
GLN C 127
1.18A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP D 295
GLY B 124
ALA D   7
THR D 111
1.47A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP C 295
GLY A 124
ALA C   7
THR C 111
1.45A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP D 295
GLY D 109
ALA D 129
GLN D 127
1.17A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY C 183
ALA C 173
THR C 169
ASN C 133
1.60A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP B 295
GLY B 109
ALA B 129
GLN B 127
1.12A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP C 187
GLY C 174
ALA C 173
GLN C 192
1.28A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
ASP B 216
PHE B 305
GLY D 170
GLY B   2
1.72A22.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
ASP B 187
GLY B 179
GLY B 174
HIS B 164
1.77A22.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 183
ALA A 173
THR A 169
ASN A 133
1.52A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP D 187
GLY D 174
ALA D 173
GLN D 192
1.29A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.23A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 183
ALA A 173
THR A 169
ASN A 133
1.52A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.32A20.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 711
GLY A 774
GLN A 724
ILE A 715
1.35A11.46

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m71 NSP7
NSP8
(SARS-CoV-2)		4 / 8
ASP C  67
GLY C  64
ALA C  65
GLN D  88
1.53A17.34

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 833
GLY A 839
ALA A 840
ILE A 837
1.48A11.46

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 390
GLY A 670
ALA A 449
THR A 393
1.59A11.46

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 684
GLY A 559
ALA A 558
THR A 687
1.18A11.46

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m71 NSP7
NSP8
(SARS-CoV-2)		4 / 8
GLY D 113
ALA D 110
ASN C  69
ILE C  68
0.84A24.44

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASP A 208
GLY A  44
THR A 206
ILE A  37
1.43A11.46

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6m71 NSP12
(SARS-CoV-2)		4 / 7
PHE A 441
PHE A 843
GLY A 839
GLY A 841
1.45A19.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
ASP B 228
PHE B 201
GLY B 232
GLY B 199
1.48A16.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
PHE B 124
PHE B 135
GLY B 141
GLY B 185
1.49A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
ILE B 584
ILE B 587
ASP B 586
GLY B 566
THR B 553
1.54A9.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
ILE B 584
ILE B 587
ASP B 586
GLY B 566
THR B 553
1.54A9.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 7
ASP A  81
GLY D 170
GLY D  60
HIS D  59
1.41A13.39
None
None
None
ZN  A 204 ( 3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6w4h NSP16
(SARS-CoV-2)		4 / 7
PHE A7003
ASP A6928
GLY A6879
HIS A6867
1.58A20.30
None
SAM  A7102 (-3.7A)
SAM  A7102 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 8
ASP A6895
GLY B4347
ALA B4324
THR A6908
1.75A23.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE A7003
ASP A6928
GLY A6879
HIS A6867
1.59A
None
SAM  A7104 (-3.8A)
SAM  A7104 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w61 NSP10
(SARS-CoV-2)		4 / 8
GLY B4374
ALA B4307
THR B4364
ILE B4308
1.54A22.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w61 NSP10
(SARS-CoV-2)		4 / 8
ASP B4317
GLY B4303
ALA B4314
THR B4354
1.77A22.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w61 NSP10
(SARS-CoV-2)		4 / 8
GLY B4305
GLU B4313
ALA B4314
THR B4300
1.71A22.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w61 NSP10
(SARS-CoV-2)		4 / 8
ASP B4317
GLU B4319
THR B4355
ASN B4315
1.77A22.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.20A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 183
ALA A 173
THR A 169
ASN A 133
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6w6y NSP3
(SARS-CoV-2)		4 / 7
PHE A 132
GLY A  48
GLY A  46
HIS A  45
1.31A
AMP  A 201 ( 4.3A)
AMP  A 201 ( 3.6A)
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6w6y NSP3
(SARS-CoV-2)		4 / 7
PHE A 132
GLY A  47
GLY A  46
HIS A  45
1.74A
AMP  A 201 ( 4.3A)
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6w75 NSP10
(SARS-CoV-2)		4 / 7
PHE B4342
ASP B4344
GLY B4347
GLY B4323
1.62A13.52
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ASP B4317
GLU B4319
THR B4355
ASN B4315
1.76A21.82
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ASP D4317
GLY D4303
ALA D4314
THR D4354
1.74A21.82
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP10
(SARS-CoV-2)		4 / 8
GLY D4374
ALA D4307
THR D4364
ILE D4308
1.53A21.82
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP10
(SARS-CoV-2)		4 / 8
GLY B4305
GLU B4313
ALA B4314
THR B4300
1.71A21.82
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
ASP A6895
GLY B4347
ALA B4324
THR A6908
1.65A22.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 7
PHE C7003
ASP C6928
GLY C6879
HIS C6867
1.58A14.02
None
SAM  C7105 ( 3.7A)
SAM  C7105 ( 3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP A6928
GLY A6879
ALA A6877
ASN A6841
1.73A22.56
SAM  A7102 ( 3.7A)
SAM  A7102 ( 3.4A)
None
SAM  A7102 ( 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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
ASP C6895
GLY D4347
ALA D4324
THR C6908
1.67A22.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ASP C6928
GLY C6879
ALA C6877
ASN C6841
1.74A22.56
SAM  C7105 ( 3.7A)
SAM  C7105 ( 3.4A)
None
SAM  C7105 ( 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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP10
(SARS-CoV-2)		4 / 8
GLY D4305
GLU D4313
ALA D4314
THR D4300
1.71A21.82
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6w75 NSP16
(SARS-CoV-2)		4 / 7
PHE A7003
ASP A6928
GLY A6879
HIS A6867
1.58A14.02
None
SAM  A7102 ( 3.7A)
SAM  A7102 ( 3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP10
(SARS-CoV-2)		4 / 8
GLY B4374
ALA B4307
THR B4364
ILE B4308
1.53A21.82
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ASP B4317
GLY B4303
ALA B4314
THR B4354
1.74A21.82
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 201
GLU A 203
ALA A 204
THR A 197
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 201
GLU A 203
ALA A 204
THR A 198
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ASP B  61
ALA B  68
THR B  63
ASN B  60
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
GLY B  28
GLN B  19
THR B   9
ASN B  60
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
GLY C  28
GLN C  19
THR C   9
ASN C  60
1.20A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
GLY B 201
GLU B 203
ALA B 204
THR B 197
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
GLY C  32
GLN C  19
THR C   9
ASN C  60
1.22A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
GLY B  32
GLN B  19
THR B   9
ASN B  60
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wen NSP3
(SARS-CoV-2)		4 / 7
PHE A 132
GLY A  48
GLY A  46
HIS A  45
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wen NSP3
(SARS-CoV-2)		4 / 7
PHE A 132
GLY A  48
GLY A  47
HIS A  45
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wey NSP3
(SARS-CoV-2)		4 / 8
ASP A 226
GLU A 230
ALA A 358
ILE A 227
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wey NSP3
(SARS-CoV-2)		4 / 7
PHE A 336
GLY A 252
GLY A 250
HIS A 249
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP E 358
GLY E 287
ASN E 285
ILE F 320
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP C 358
GLY C 287
ASN C 285
ILE D 320
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP B 358
GLY B 287
ASN B 285
ILE A 320
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP F 358
GLY F 287
ASN F 285
ILE E 320
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP A 358
GLY A 287
ASN A 285
ILE B 320
1.17A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP B 343
ALA E 267
GLN B 306
ASN B 345
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP D 358
GLY D 287
ASN D 285
ILE C 320
1.14A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE C7003
ASP C6928
GLY C6879
HIS C6867
1.60A
None
SAH  C7102 (-3.7A)
SAH  C7102 (-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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE A7003
ASP A6928
GLY A6879
HIS A6867
1.59A
None
SAH  A7102 (-3.7A)
SAH  A7102 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wjt NSP10
(SARS-CoV-2)		4 / 8
GLY D4374
ALA D4307
THR D4364
ILE D4308
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wjt NSP10
(SARS-CoV-2)		4 / 8
GLY B4374
ALA B4307
THR B4364
ILE B4308
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wkq NSP16
(SARS-CoV-2)		4 / 7
PHE A7003
ASP A6928
GLY A6879
HIS A6867
1.59A
None
SFG  A7103 ( 3.6A)
SFG  A7103 ( 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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wkq NSP16
(SARS-CoV-2)		4 / 7
PHE C7003
ASP C6928
GLY C6879
HIS C6867
1.59A
None
SFG  C7103 ( 3.7A)
SFG  C7103 ( 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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wkq NSP10
(SARS-CoV-2)		4 / 8
GLY B4374
ALA B4307
THR B4364
ILE B4308
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wkq NSP10
(SARS-CoV-2)		4 / 7
PHE D4342
ASP D4344
GLY D4347
GLY D4323
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wkq NSP10
(SARS-CoV-2)		4 / 7
PHE B4342
ASP B4344
GLY B4347
GLY B4323
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wkq NSP10
(SARS-CoV-2)		4 / 8
GLY D4374
ALA D4307
THR D4364
ILE D4308
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ASP B 125
ALA B  81
GLN B 131
ASN B  63
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ASP B 125
ALA B  82
GLN B 131
ASN B  63
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ASP A 125
ALA A  82
GLN A 131
ASN A  63
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ASP B  40
GLU B  42
THR B  34
ILE B  27
1.58A
None
EDO  B 411 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ASP A 125
ALA A  81
GLN A 131
ASN A  63
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
PHE A 124
PHE A 135
GLY A 141
GLY A 185
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
PHE B 124
PHE B 135
GLY B 141
GLY B 185
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.43A
None
None
None
U5G  A 401 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 105
GLY A 103
GLU A 104
ILE B 137
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP D  22
GLU D  26
ALA D 154
ILE D  23
1.44A
APR  D 201 (-3.7A)
None
APR  D 201 (-4.4A)
APR  D 201 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wq3 NSP10
(SARS-CoV-2)		4 / 8
GLY B4374
ALA B4307
THR B4364
ILE B4308
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE A7003
ASP A6928
GLY A6879
HIS A6867
1.59A
None
SAH  A7101 (-3.7A)
SAH  A7101 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
GLY A  64
ALA A  65
GLN A  19
THR B  84
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
GLY C  64
ALA C  65
GLN C  19
THR D  84
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLY A 183
ALA A 173
THR A 169
ASN A 133
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
GLY A  32
GLN A  19
THR A   9
ASN A  60
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
GLY A  28
GLN A  19
THR A   9
ASN A  60
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
ASP A  61
ALA A  68
THR A  63
ASN A  60
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6xip NSP7
NSP8
(SARS-CoV-2)		4 / 8
GLY B 113
ALA B 110
ASN A  69
ILE A  68
1.08A20.99
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.69A20.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 295
ALA A   7
GLN A 127
THR A 111
1.69A20.21
DMS  A 403 ( 4.3A)
None
DMS  A 403 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLY A 174
ALA A 173
GLN A 192
THR A 190
1.61A20.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.15A20.21
DMS  A 403 ( 4.3A)
None
None
DMS  A 403 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A 110
THR A 292
ASN A 151
ILE A 106
1.76A20.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.33A20.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
ASP C  67
GLY C  64
ALA C  65
GLN D  88
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
ASP A  67
GLY A  64
ALA A  65
GLN B  88
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.19A
 CL  A 406 (-3.4A)
PEG  A 405 (-3.3A)
None
CL  A 406 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE C 132
GLY C  48
GLY C  46
HIS C  45
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE B 132
GLY B  48
GLY B  46
HIS B  45
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
ASP D 157
PHE D 156
GLY C  85
HIS C  86
1.46A
None
EDO  D 204 (-3.9A)
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ASP C  22
GLU C  26
ALA C 154
ILE C  23
1.56A
None
None
EDO  C 206 (-4.4A)
EDO  C 206 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ASP A  22
GLU A  26
ALA A 154
ILE A  23
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 390
GLY A 670
ALA A 449
THR A 393
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		7btf NSP12
(SARS-CoV-2)		4 / 7
ASP A 274
PHE A 275
GLY A 352
HIS A 347
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 833
GLY A 839
ALA A 840
ILE A 837
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 208
GLY A  44
THR A 206
ILE A  37
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 845
GLY A 841
ALA A 840
ILE A 548
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		7btf NSP12
(SARS-CoV-2)		4 / 7
PHE A 441
PHE A 843
GLY A 839
GLY A 841
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 711
GLY A 774
GLN A 724
ILE A 715
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		7btf NSP12
(SARS-CoV-2)		4 / 7
PHE A 441
ASP A 845
GLY A 839
GLY A 841
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASP A 684
GLY A 559
ALA A 558
THR A 687
1.22A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLY A 183
ALA A 173
THR A 169
ASN A 133
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 187
GLY A 174
ALA A 173
GLN A 192
1.37A
None
None
None
DMS  A 405 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.21A
DMS  A 406 ( 4.7A)
None
None
DMS  A 406 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 711
GLY A 774
GLN A 724
ILE A 715
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 833
GLY A 839
ALA A 840
ILE A 837
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 684
GLY A 559
ALA A 558
THR A 687
1.13A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 208
GLY A  44
THR A 206
ILE A  37
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
PHE A 441
PHE A 843
GLY A 839
GLY A 841
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASP A 390
GLY A 670
ALA A 449
THR A 393
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
GLY A 590
ALA A 580
THR A 686
ILE A 579
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 208
GLY A  44
THR A 206
ILE A  37
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 684
GLY A 559
ALA A 558
THR A 687
1.35A
None
U  T  10 ( 3.5A)
None
F86  P 102 (-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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 711
GLY A 774
GLN A 724
ILE A 715
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 390
GLY A 670
ALA A 449
THR A 393
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
PHE A 528
PHE A 571
GLY A 486
HIS A 572
1.23A
None
None
ZN  A1002 ( 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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
PHE A 441
PHE A 843
GLY A 839
GLY A 841
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASP A 833
GLY A 839
ALA A 840
ILE A 837
1.49A
None
None
U  P  18 ( 3.4A)
None