Ligand ID: DX2


Drugbank ID:
DB00384
(Triamterene)


Indication:
For the treatment of edema associated with congestive heart failure, cirrhosis of the liver, and the nephrotic syndrome; also in steroid-induced edema, idiopathic edema, and edema due to secondary hyperaldosteronism.

Get human targets for DX2 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'DX2' 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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 289
VAL A 202
LEU A 242
PRO A 241
1.61A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A  81
VAL A  20
LEU A  27
PRO A  39
1.80A22.15
K1Y  A 404 (-3.2A)
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
PHE A 103
ASP A  33
TYR A 101
VAL A  36
1.63A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A   1
PHE A   3
VAL A 297
LEU A 253
1.71A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.70A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A 139
TYR A 126
VAL A 148
PRO A 122
1.69A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6lu7 MAIN PROTEASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.67A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 289
VAL A 202
LEU A 242
PRO A 241
1.58A23.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.72A23.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6m0j ACE2
SPIKE RECEPTOR
BINDING DOMAIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER E 494
ASP A  38
TYR E 449
PRO E 507
1.29A21.62
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m0j ACE2
SPIKE RECEPTOR
BINDING DOMAIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER E 494
ASP A  38
TYR E 449
PRO E 507
1.32A21.62
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 289
VAL A 202
LEU A 242
PRO A 241
1.57A23.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.71A23.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m17 ACE2
RECEPTOR BINDING
DOMAIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER E 494
ASP B  38
TYR E 449
PRO E 507
1.31A21.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6m17 ACE2
RECEPTOR BINDING
DOMAIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER E 494
ASP B  38
TYR E 449
PRO E 507
1.26A21.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
PHE C 103
ASP C  33
TYR C 101
VAL C  36
MET C 162
1.68A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP B 289
VAL B 202
LEU B 242
PRO B 241
1.57A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE C 305
VAL A 125
LEU A 115
PRO A 122
1.57A23.03
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
PHE B 103
ASP B  33
TYR B 101
VAL B  36
MET B 162
1.72A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE C 103
ASP C  33
TYR C 101
VAL C  36
1.54A23.03
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
PHE D 103
ASP D  33
TYR D 101
VAL D  36
MET D 162
1.73A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER C 139
PHE A   3
VAL A 297
LEU A 253
1.59A23.03
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.73A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER D 139
PHE B   3
VAL B 297
LEU B 253
1.57A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE B 103
ASP B  33
TYR B 101
VAL B  36
1.60A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 289
VAL A 202
LEU A 242
PRO A 241
1.57A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE D 305
VAL B 125
LEU B 115
PRO B 122
1.57A23.03
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.70A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 289
VAL A 202
LEU A 242
PRO A 241
1.59A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
PHE A 103
ASP A  33
TYR A 101
VAL A  36
1.60A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
SER A 139
TYR A 126
VAL A 148
PRO A 122
1.61A23.03
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER C  79
TYR C 113
LEU C 162
PRO C 163
1.33A18.25
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A  35
ASP A 126
VAL A  31
LEU A  49
0.99A14.21
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 793
ASP A 161
TYR A 163
PRO A 620
1.48A14.21
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
TYR A 606
VAL A 827
LEU A 829
PRO A 830
1.30A14.21
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
SER A 664
PHE A 326
VAL A 353
LEU A 329
1.49A14.21
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER A 672
VAL B 186
LEU B 184
PRO B 183
1.56A14.21
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 8
PHE A 407
VAL B 160
LEU B 184
PRO B 183
1.48A14.21
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
SER B   7
PHE B   6
VAL B  16
LEU B 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
SER B   7
TYR B   9
VAL B  24
LEU B  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
VAL A  16
LEU A 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
LEU A  88
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
TYR A   9
LEU A  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
PRO A  32
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
SER B  78
TYR B 112
LEU B 161
PRO B 162
1.60A17.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
SER C 371
PHE C 377
LEU C 387
PRO C 384
1.49A21.07
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR H  52
VAL C 512
LEU C 425
PRO C 412
1.68A18.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
SER C 371
PHE C 377
LEU C 387
PRO C 384
1.45A21.07
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ARG A7081
ASP A6906
VAL A6865
PRO A6860
1.77A19.57
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
TYR A7040
VAL A6995
LEU A6834
PRO A6835
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ARG A6884
SER A6903
VAL A6865
LEU A6887
1.73A19.57
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR A 113
VAL A 155
LEU A 160
PRO A 136
1.71A22.57
None
AMP  A 201 ( 4.4A)
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
VAL A  16
LEU A 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
PHE A   6
TYR A   9
VAL A  36
PRO A  32
1.66A22.57
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
PRO A  32
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
TYR A   9
LEU A  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER B   7
PHE B   6
VAL B  16
LEU B 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR B 113
VAL B 155
LEU B 160
PRO B 136
1.74A22.57
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
LEU A  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ARG B 141
SER B 139
VAL B 165
LEU B 169
1.75A22.57
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
TYR A   9
PRO A  32
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
PHE B   6
TYR B   9
VAL B  36
PRO B  32
1.70A22.57
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER A7000
TYR A7026
VAL A6807
PRO A7034
1.74A19.71
FMT  A7105 ( 2.6A)
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ARG A  82
PHE A  79
TYR A  72
LEU A 152
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
SER B 262
ASP B 164
TYR B 273
TRP C 106
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
SER C 262
ASP C 164
TYR C 273
TRP A 106
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6wen NSP3
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
TYR A   9
LEU A  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6wey NSP3
(SARS-CoV-2)		4 / 8
SER A 211
PHE A 210
VAL A 220
LEU A 357
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6wey NSP3
(SARS-CoV-2)		4 / 8
SER A 211
PHE A 210
TYR A 213
LEU A 292
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ARG F 293
PHE F 363
VAL F 270
LEU F 291
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ARG D 293
PHE D 363
VAL D 270
LEU D 291
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ARG B 293
PHE B 363
VAL B 270
LEU B 291
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER D 105
ASP A  81
LEU D 167
PRO D 168
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER C  78
TYR C 112
LEU C 161
PRO C 162
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER B 105
ASP C  81
LEU B 167
PRO B 168
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER D  78
TYR D 112
LEU D 161
PRO D 162
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER A  78
TYR A 112
LEU A 161
PRO A 162
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER B  78
TYR B 112
LEU B 161
PRO B 162
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
SER B 274
ASP B 324
VAL B 321
PRO B 344
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
SER A 274
ASP A 324
VAL A 321
PRO A 344
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.70A23.03
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER B   7
PHE B   6
TYR B   9
PRO B  32
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER D   7
PHE D   6
VAL D  16
LEU D 153
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.71A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 289
VAL A 202
LEU A 242
PRO A 241
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
SER A 111
ASP A 164
TYR A 273
LEU A 120
1.69A
PO4  A 502 (-2.9A)
GOL  A 508 (-3.4A)
GOL  A 508 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER A 139
TYR A 126
VAL A 148
PRO A 122
1.68A21.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
PHE A 103
ASP A  33
TYR A 101
VAL A  36
1.63A21.11
None
None
DMS  A 407 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.70A21.11
None
None
DMS  A 407 (-3.8A)
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 289
VAL A 202
LEU A 242
PRO A 241
1.60A21.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
SER A  38
TYR A  72
LEU A 121
PRO A 122
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 371
PHE E 377
LEU E 387
PRO E 384
1.53A
DMS  E 901 ( 4.4A)
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 371
PHE A 377
LEU A 387
PRO A 384
1.53A
DMS  A 901 ( 4.9A)
None
DMS  A 905 ( 4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR H  52
VAL E 512
LEU E 425
PRO E 412
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 371
PHE E 377
LEU E 387
PRO E 384
1.51A
DMS  E 901 ( 4.4A)
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 371
PHE A 377
LEU A 387
PRO A 384
1.56A
DMS  A 901 ( 4.9A)
None
DMS  A 905 ( 4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR H  52
VAL E 512
LEU E 425
PRO E 412
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 371
PHE E 377
LEU E 387
PRO E 384
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 371
PHE E 377
LEU E 387
PRO E 384
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.71A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 371
PHE A 377
LEU A 387
PRO A 384
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR H  52
VAL E 512
LEU E 425
PRO E 412
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 371
PHE E 377
LEU E 387
PRO E 384
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 371
PHE A 377
LEU A 387
PRO A 384
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 371
PHE E 377
LEU E 387
PRO E 384
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR B  52
VAL A 512
LEU A 425
PRO A 412
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
PHE A 103
ASP A  33
TYR A 101
VAL A  36
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.69A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
PRO A  32
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
LEU A  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B   7
TYR B   9
VAL B  24
LEU B  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C   7
PHE C   6
TYR C   9
PRO C  32
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C   7
TYR C   9
VAL C  24
LEU C  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER E   7
PHE E   6
VAL E  16
LEU E 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER D   7
PHE D   6
VAL D  16
LEU D 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C   7
TYR C   9
VAL C  24
PRO C  32
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
VAL A  16
LEU A 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B   7
TYR B   9
VAL B  24
PRO B  32
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B   7
PHE B   6
TYR B   9
LEU B  88
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C   7
PHE C   6
TYR C   9
LEU C  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B   7
PHE B   6
VAL B  16
LEU B 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B   7
TYR B   9
VAL B  24
PRO B  32
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C   7
PHE C   6
TYR C   9
PRO C  32
1.72A
None
None
EDO  C 204 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
LEU A  88
1.59A
None
EDO  A 202 (-4.6A)
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B   7
PHE B   6
VAL B  16
LEU B 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
PHE C   6
TYR C   9
VAL C  36
PRO C  32
1.59A
None
EDO  C 204 ( 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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B   7
TYR B   9
VAL B  24
LEU B  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER D   7
PHE D   6
VAL D  16
LEU D 153
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C   7
PHE C   6
TYR C   9
LEU C  88
1.77A
None
None
EDO  C 204 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C   7
TYR C   9
VAL C  24
PRO C  32
1.60A
None
EDO  C 204 ( 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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
TYR A   9
PRO A  32
1.74A
None
None
EDO  A 202 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER E   7
PHE E   6
VAL E  16
LEU E 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
PRO A  32
1.58A
None
EDO  A 202 (-4.6A)
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C   7
PHE C   6
VAL C  16
LEU C 153
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
TYR A   9
LEU A  88
1.76A
None
None
EDO  A 202 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER B   7
PHE B   6
VAL B  16
LEU B 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
PRO A  32
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
TYR A   9
VAL A  24
LEU A  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER C   7
PHE C   6
VAL C  16
LEU C 153
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
TYR A   9
LEU A  88
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
SER A   7
PHE A   6
VAL A  16
LEU A 153
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 289
VAL A 202
LEU A 242
PRO A 241
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.73A23.03
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		7btf NSP12
(SARS-CoV-2)		4 / 8
SER A 672
ASP A 390
TYR A 674
LEU A 544
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7btf NSP12
NSP7
NSP8
(SARS-CoV-2)		4 / 8
PHE A 415
ASP C   5
TYR A 420
LEU D  91
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A 812
VAL A 764
LEU A 614
PRO A 809
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		7btf NSP12
NSP7
NSP8
(SARS-CoV-2)		4 / 8
PHE A 415
ASP C   5
TYR A 420
LEU D  91
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		7btf NSP12
NSP7
NSP8
(SARS-CoV-2)		4 / 8
SER C   1
ASP A 421
TYR A 420
LEU D  95
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7btf NSP12
NSP7
(SARS-CoV-2)		4 / 8
SER C   1
TYR A 420
VAL C  11
LEU C  40
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A 793
ASP A 161
TYR A 163
PRO A 620
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A  35
ASP A 126
VAL A  31
LEU A  49
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		7btf NSP12
(SARS-CoV-2)		4 / 8
SER A 814
PHE A 812
LEU A 614
PRO A 809
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.72A23.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 289
VAL A 202
LEU A 242
PRO A 241
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
PHE A 812
VAL A 764
LEU A 614
PRO A 809
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		7bv1 NSP12
NSP7
NSP8
(SARS-CoV-2)		4 / 8
PHE A 415
ASP C   5
TYR A 420
LEU D  91
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7bv1 NSP7
NSP8
(SARS-CoV-2)		4 / 8
TYR D 149
VAL C  53
LEU D 122
PRO D 121
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
PHE A 793
ASP A 161
TYR A 163
PRO A 620
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
SER A 236
PHE A  45
ASP A 208
LEU A 127
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
SER A 664
PHE A 326
VAL A 353
LEU A 329
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 8
PHE A 407
VAL B 160
LEU B 184
PRO B 183
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 793
ASP A 161
TYR A 163
PRO A 620
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 812
VAL A 764
LEU A 614
PRO A 809
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 8
PHE A 407
VAL B 160
LEU B 184
PRO B 183
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A  35
ASP A 126
VAL A  31
LEU A  49
1.06A
None