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-RELATED PROTEINS ONLY

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_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.71A24.15
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)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER B   1
PHE B   3
VAL B 297
LEU B 253
1.32A24.15
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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.74A23.78
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.76A24.15
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)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.68A24.51
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
SER A 116
ASP A 165
TYR A 274
LEU A 212
1.46A18.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.63A24.15
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_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		4 / 8
SER A  79
TYR A 113
LEU A 162
PRO A 163
1.56A21.03
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)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 10
PHE B 103
ASP B  33
TYR B 101
VAL B  36
MET B 162
1.74A24.35
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ARG B 198
SER A 171
ASP B 212
LEU B 298
1.63A21.21
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_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.68A23.86
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.76A24.35
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2wct NSP3
(SARSr-CoV)		4 / 8
SER B 585
ASP C 447
VAL C 457
PRO C 460
1.32A21.02
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.66A24.15
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_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
ASP B 509
TYR B 183
LEU B 456
PRO B 500
1.62A20.78
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.69A24.06
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A   1
PHE A   3
VAL A 297
LEU A 253
1.24A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3e9s NSP3
(SARSr-CoV)		4 / 8
SER A 116
ASP A 165
TYR A 274
LEU A 212
1.43A19.82
OCS  A 112 ( 3.7A)
TTT  A 317 (-4.1A)
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_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.70A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE B 103
ASP B  33
TYR B 101
VAL B  36
MET B 162
1.69A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.62A24.15
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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.67A24.35
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 139
PHE B   3
VAL B 297
LEU B 253
1.31A24.15
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)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.60A24.15
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)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.73A24.35
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE D 103
ASP D  33
TYR D 101
VAL D  36
MET D 162
1.63A24.15
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)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.71A24.15
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)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.76A24.15
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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE B 103
ASP B  33
TYR B 101
VAL B  36
MET B 162
1.74A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
ASP B 509
TYR B 183
LEU B 456
PRO B 500
1.58A19.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3sna 3C-LIKE PROTEINASE
PEPTIDE ALDEHYDE
INHIBITOR AC-NSFSQ-H
(SARSr-CoV)		4 / 8
SER H   2
ASP A 187
VAL A  42
LEU A  27
1.37A2.43
None
None
None
ECC  H   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE B 103
ASP B  33
TYR B 101
VAL B  36
MET B 162
1.72A24.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
SER A 116
ASP A 165
TYR A 274
LEU A 212
1.60A19.71
 NA  A 402 (-2.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.69A24.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 8
SER B 116
ASP B 165
TYR B 274
LEU B 212
1.38A19.82
OCS  B 112 ( 3.5A)
P85  B 902 (-3.8A)
P85  B 902 (-4.4A)
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 8
SER A 145
PHE A 148
ASP A 121
LEU A 169
1.56A19.41
PO4  A 402 (-4.7A)
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)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 8
SER A 145
PHE A 148
ASP A 121
VAL A 116
LEU A 169
1.68A19.41
PO4  A 402 (-4.7A)
None
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_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 10
SER A 145
PHE A 148
ASP A 121
VAL A 116
LEU A 169
1.69A19.41
PO4  A 402 (-4.7A)
None
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_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.63A23.08
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
SER B 194
ASP B  90
VAL B 269
LEU B 152
1.29A20.19
None
MG  B 604 (-3.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
SER B 194
ASP B  90
VAL B 269
LEU B 152
1.36A20.34
None
MG  B 604 (-2.9A)
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)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		4 / 8
SER D  67
PHE F  45
VAL F   5
LEU F  43
1.22A19.58
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
SER A 116
ASP A 165
TYR A 274
LEU A 212
1.37A19.58
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
SER O  67
ASP D  41
TYR O  96
LEU D  18
1.60A20.28
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
SER B 194
ASP B  90
VAL B 269
LEU B 152
1.34A21.11
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)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
SER D 116
ASP D 165
TYR D 274
LEU D 212
1.47A20.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
PHE D 148
TYR D 137
VAL D 117
LEU D 114
1.35A20.24
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
PHE A 313
TYR A  85
LEU A 172
PRO A 173
1.43A21.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5x59 S PROTEIN
(MERS-CoV)		4 / 8
ARG B 694
SER B 690
VAL C 810
LEU C 821
1.19A10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
ARG C 441
SER A 111
LEU C 443
PRO C 477
1.41A13.06
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
ARG B 453
SER B 456
VAL C 114
LEU C 224
1.17A13.06
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
SER A 364
PHE A 366
ASP A 343
LEU A 717
1.34A10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C 727
VAL A 307
LEU A 615
PRO A 617
0.97A13.42
ASP  C 727 ( 0.5A)
VAL  A 307 ( 0.6A)
LEU  A 615 ( 0.6A)
PRO  A 617 ( 1.1A)
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
SER A 116
ASP A 165
TYR A 274
LEU A 212
1.45A18.62
 NA  A 404 (-3.7A)
GOL  A 409 (-3.1A)
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_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ARG B 232
PHE B  22
ASP B  23
PRO B 136
MET B 151
1.72A13.42
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.
3JQ7_D_DX2D270_1
(PTERIDINE REDUCTASE
1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ARG B 232
PHE B  22
ASP B  23
PRO B 136
MET B 151
1.70A13.42
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6acg ACE2
(Homo
sapiens)		4 / 8
ASP D 509
TYR D 183
LEU D 503
PRO D 500
1.53A19.41
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C 727
VAL A 307
LEU A 615
PRO A 617
0.81A13.42
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
SER B 785
PHE B 784
LEU B 776
PRO B 774
1.48A13.42
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ASP B 727
VAL A 307
LEU A 615
PRO A 617
1.17A13.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ASP C 727
VAL B 307
LEU B 615
PRO B 617
0.96A13.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ARG C 342
SER C 500
LEU A 224
PRO A 223
1.53A13.09
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6cs2 ACE2
(Homo
sapiens)		4 / 8
ASP D 509
TYR D 183
LEU D 503
PRO D 500
1.53A20.96
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_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
ASP C 445
VAL C 103
LEU C  96
PRO C  16
1.31A18.00
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
ARG A  97
SER A 290
ASP A 302
TYR A  41
1.61A18.00
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6m1d ACE2
(Homo
sapiens)		4 / 8
SER D 317
PHE D 314
ASP D 543
LEU D 423
1.31A16.97
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6m1d ACE2
(Homo
sapiens)		4 / 8
SER D 317
PHE D 314
ASP D 543
LEU D 423
1.27A16.97
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C 727
VAL A 307
LEU A 615
PRO A 617
1.04A13.51
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER H 141
PHE L 214
LEU L 130
PRO L 125
1.59A21.34
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6nur NSP12
(SARSr-CoV)		4 / 8
PHE A 793
ASP A 161
TYR A 163
PRO A 620
1.32A14.87
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER E 494
ASP A  38
TYR E 449
PRO E 507
1.30A20.34
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
SER E 494
ASP A  38
TYR E 449
PRO E 507
1.34A20.34
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
SER L 114
VAL H 182
LEU H 138
PRO H 126
1.68A19.79
None
Potential target for repurposing, i.e. matched protein structure has less than 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
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
SER L 127
ASP H 144
VAL H 142
PRO H 123
1.72A19.79
None
Potential target for repurposing, i.e. matched protein structure has less than 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 LIGHT
CHAIN
(Homo
sapiens)		4 / 8
PHE L 139
TYR L 173
VAL L 110
PRO L 113
1.68A19.79
None
Potential target for repurposing, i.e. matched protein structure has less than 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 LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  87
VAL L 104
LEU L  11
PRO L   8
1.57A19.79
None
None
None
SO4  L 303 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 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
(Homo
sapiens)		4 / 8
PHE H 122
ASP H 144
LEU H 124
PRO H 123
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 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
PHE H 122
ASP H 144
LEU H 124
PRO H 123
1.73A18.71
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_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
SER L 215
PHE L 209
LEU L 125
PRO L 120
1.44A19.79
None
Potential target for repurposing, i.e. matched protein structure has less than 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
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
SER L 127
VAL L 133
LEU H 124
PRO H 123
1.61A19.79
None
Potential target for repurposing, i.e. matched protein structure has less than 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 LIGHT
CHAIN
(Homo
sapiens)		4 / 8
SER L 203
VAL L 146
LEU L 136
PRO L 113
1.72A19.79
None
Potential target for repurposing, i.e. matched protein structure has less than 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 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
SER L 215
PHE L 209
LEU L 125
PRO L 120
1.49A19.79
None
Potential target for repurposing, i.e. matched protein structure has less than 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
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
PHE L 116
VAL H 182
LEU H 138
PRO H 126
1.45A19.79
None
Potential target for repurposing, i.e. matched protein structure has less than 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 HEAVY CHAIN
(Homo
sapiens)		4 / 8
SER B  71
ASP B  73
TYR B  80
LEU H 163
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
PHE H 126
ASP H 148
LEU H 128
PRO H 127
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE C 122
VAL B 186
LEU B 142
PRO B 130
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_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR C  93
VAL C 110
LEU C  11
PRO C   8
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)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
PHE B 126
ASP B 148
LEU B 128
PRO B 127
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)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER L 209
VAL L 152
LEU L 142
PRO L 119
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 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER H 131
PHE L 215
LEU L 131
PRO L 126
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L  93
VAL L 110
LEU L  11
PRO L   8
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)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L  93
VAL L 110
LEU L  11
PRO L   8
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)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER H 131
PHE L 215
LEU L 131
PRO L 126
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)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
SER H 131
PHE L 215
LEU L 131
PRO L 126
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_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
PHE H 126
ASP H 148
LEU H 128
PRO H 127
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
PHE L 122
VAL H 186
LEU H 142
PRO H 130
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
SER C 209
VAL C 152
LEU C 142
PRO C 119
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 IGG L CHAIN
(Homo
sapiens)		4 / 8
SER L 209
VAL L 152
LEU L 142
PRO L 119
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)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
SER B 131
PHE C 215
LEU C 131
PRO C 126
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
TYR C  93
VAL C 110
LEU C  11
PRO C   8
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)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
PHE H 126
ASP H 148
LEU H 128
PRO H 127
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
PHE B 126
ASP B 148
LEU B 128
PRO B 127
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
SER H 131
PHE L 215
LEU L 131
PRO L 126
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
TYR L  93
VAL L 110
LEU L  11
PRO L   8
1.59A
None