Ligand ID: 41X


Drugbank ID:
DB00234
(Reboxetine)


Indication:
For the treatment of clinical depression.

Get human targets for 41X in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '41X'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
4XNX_A_41XA707_1
(TRANSPORTER)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA C 142
TYR C 137
GLY C 101
SER C 104
GLY C 143
1.41A18.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 11
PHE A 203
ASP A 199
VAL A 294
TYR A 278
GLY A 253
1.51A20.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
ALA A  80
VAL A 121
GLY A 100
VAL A  84
SER A  97
1.43A20.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		3bgf F26G19 FAB
(Mus
musculus)		5 / 11
ASP C  85
ASP C  41
GLY B  42
VAL B  89
GLY C  42
1.53A16.35
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.
4XNX_A_41XA707_1
(TRANSPORTER)		3e9s NSP3
(SARSr-CoV)		5 / 11
ALA A 142
TYR A 137
GLY A 101
SER A 104
GLY A 143
1.36A18.15
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.
4XNX_A_41XA707_1
(TRANSPORTER)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
ALA A 142
TYR A 137
GLY A 101
SER A 104
GLY A 143
1.40A18.58
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.
4XNX_A_41XA707_1
(TRANSPORTER)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 11
ALA A 142
TYR A 137
GLY A 101
SER A 104
GLY A 143
1.36A18.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		5r84 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.47A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.50A14.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA B 142
TYR B 137
GLY B 101
SER B 104
GLY B 143
1.30A18.11
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.
4XNX_A_41XA707_1
(TRANSPORTER)		5x4r S PROTEIN
(MERS-CoV)		5 / 11
ALA A  53
VAL A  50
ASP A  54
GLY A  73
GLY A  55
1.40A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
ASP A 407
ALA A 422
VAL A 420
TYR A 367
VAL A 389
1.46A17.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		5x5c S PROTEIN
(MERS-CoV)		5 / 11
ALA A  53
VAL A  50
ASP A  54
GLY A  73
GLY A  55
1.41A18.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL B1022
ASP B1023
TYR B1029
GLY A 867
GLY A 871
1.37A18.05
VAL  B1022 ( 0.6A)
ASP  B1023 ( 0.5A)
TYR  B1029 ( 1.3A)
GLY  A 867 ( 0.0A)
GLY  A 871 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL C1022
ASP C1023
TYR C1029
GLY B 867
GLY B 871
1.22A18.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
PHE C 501
ASP C 376
ALA C 350
GLY C 418
VAL C 382
1.43A18.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		5 / 11
ASP D 355
ASP D  38
TYR D  41
GLY B 490
GLY B 482
1.37A21.41
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6jyt HELICASE
(SARSr-CoV)		5 / 11
PHE B 437
ASP B 458
VAL B 452
ASP B 450
GLY B 282
1.54A22.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.47A20.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6lzg ACE2
(Homo
sapiens)		5 / 11
ALA A 501
ASP A 499
GLY A 130
SER A 170
GLY A 173
1.39A21.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6m0j ACE2
(Homo
sapiens)		5 / 11
ALA A 501
ASP A 499
GLY A 130
SER A 170
GLY A 173
1.40A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.52A20.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6m17 ACE2
(Homo
sapiens)		5 / 11
ALA D 501
ASP D 499
GLY D 130
SER D 170
GLY D 173
1.52A20.94
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XNX_A_41XA707_1
(TRANSPORTER)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
PHE C  48
VAL C 125
TYR C 128
TYR C 129
SER C 431
0.80A35.79
LEU  C 707 (-4.7A)
None
None
LEU  C 707 ( 3.9A)
LEU  C 707 (-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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP C 176
TYR C 161
GLY C  29
VAL C  86
GLY C 179
1.54A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP B 176
TYR B 161
GLY B  29
VAL B  86
GLY B 179
1.59A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.61A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP D 176
TYR D 161
GLY D  29
VAL D  86
GLY D 179
1.59A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.48A20.29
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 11
PHE A  48
ALA A 125
ASP A 126
TYR A 129
GLY A  44
1.56A20.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
VAL A 776
TYR A 770
GLY A 774
1.68A20.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
TYR A 770
GLY A 712
GLY A 774
1.63A20.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		6 / 11
ASP A 623
VAL A 667
TYR A 453
TYR A 456
GLY A 683
VAL A 662
1.79A20.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ALA C 890
VAL B1040
ASP B1041
GLY B 910
GLY B1046
1.54A18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6vw1 ANGIOTENSIN-CONVERTI
NG ENZYME 2
SARS-COV-2 CHIMERIC
RBD
(SARSr;
homo
sapiens)		5 / 11
ASP A 355
ASP A  38
TYR A  41
GLY E 504
GLY E 496
1.43A21.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6vw1 ANGIOTENSIN-CONVERTI
NG ENZYME 2
SARS-COV-2 CHIMERIC
RBD
(SARSr;
homo
sapiens)		5 / 11
ASP B 355
ASP B  38
TYR B  41
GLY F 504
GLY F 496
1.44A21.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 11
PHE C 515
ALA C 397
VAL C 511
GLY C 431
VAL C 395
1.73A15.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.61A
None
SAM  A7104 (-3.6A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP C6895
GLY C6879
VAL D4295
SER C6903
GLY D4322
1.58A15.56
None
SAM  C7105 ( 3.4A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP C6895
TYR C6845
GLY C6875
SER C6903
GLY D4322
1.80A15.56
None
SAM  C7105 ( 4.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.58A15.56
None
SAM  A7102 ( 3.4A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ASP B 302
ALA B 114
TYR B 112
TYR B 273
SER B 262
1.67A
None
CL  B 502 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 302
ALA A 114
TYR A 112
TYR A 273
SER A 262
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ASP C 302
ALA C 114
TYR C 112
TYR C 273
SER C 262
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
ALA C 141
TYR C 136
GLY C 100
SER C 103
GLY C 142
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.59A
None
SAH  A7102 (-3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP C6895
GLY C6879
VAL D4295
SER C6903
GLY D4322
1.58A
None
SAH  C7102 (-3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP C6895
TYR C6845
GLY C6875
SER C6903
GLY D4322
1.80A
None
SAH  C7102 (-4.6A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
TYR A6845
GLY A6875
SER A6903
GLY B4322
1.79A
None
SAH  A7102 (-4.6A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP A6895
TYR A6845
GLY A6875
SER A6903
GLY B4322
1.78A
None
SFG  A7103 ( 4.6A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP C6895
TYR C6845
GLY C6875
SER C6903
GLY D4322
1.79A
None
SFG  C7103 ( 4.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP C6895
GLY C6879
VAL D4295
SER C6903
GLY D4322
1.58A
None
SFG  C7103 ( 3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.57A
None
SFG  A7103 ( 3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
GLY A6879
VAL B4295
SER A6903
GLY B4322
1.59A
None
SAH  A7101 (-3.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
ASP A6895
TYR A6845
GLY A6875
SER A6903
GLY B4322
1.79A
None
SAH  A7101 (-4.5A)
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 11
ALA A 141
TYR A 136
GLY A 100
SER A 103
GLY A 142
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
1.50A14.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
ALA B 141
TYR B 198
GLY B 166
VAL B 185
GLY B 143
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE A 515
VAL A 433
VAL A 382
SER A 514
GLY A 431
1.70A
None
None
DMS  A 905 (-4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 11
ASP L 191
ALA L 159
VAL L 156
ASP L 157
TYR L 198
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
ALA E 397
VAL E 511
GLY E 431
VAL E 395
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE A 515
ALA A 397
VAL A 511
GLY A 431
VAL A 395
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
VAL E 433
VAL E 382
SER E 514
GLY E 431
1.70A
None
None
DMS  L1601 (-4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
VAL E 433
VAL E 382
SER E 514
GLY E 431
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
ALA E 397
VAL E 511
GLY E 431
VAL E 395
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 11
ASP C 191
ALA C 159
VAL C 156
ASP C 157
TYR C 198
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 11
ASP L 191
ALA L 159
VAL L 156
ASP L 157
TYR L 198
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
ALA E 397
VAL E 511
GLY E 431
VAL E 395
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE A 515
ALA A 397
VAL A 511
GLY A 431
VAL A 395
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE E 515
VAL E 433
VAL E 382
SER E 514
GLY E 431
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PHE A 515
VAL A 433
VAL A 382
SER A 514
GLY A 431
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.
4XNX_A_41XA707_1
(TRANSPORTER)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 11
ASP A 623
TYR A 453
TYR A 456
GLY A 683
VAL A 662
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
VAL A 776
TYR A 770
GLY A 774
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 11
PHE A  48
ALA A 125
ASP A 126
TYR A 129
GLY A  44
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
NSP7
(SARS-CoV-2)		5 / 11
ASP A 845
ALA A 443
VAL A 410
TYR A 546
VAL C  11
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 11
ALA A 580
GLY A 584
VAL A 588
SER A 592
GLY A 590
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 11
ASP A 176
TYR A 161
GLY A  29
VAL A  86
GLY A 179
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
VAL A 776
TYR A 770
GLY A 774
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
ASP A 623
TYR A 453
TYR A 456
GLY A 683
VAL A 662
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
PHE A  48
ALA A 125
ASP A 126
TYR A 129
GLY A  44
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		6 / 11
ASP A 623
VAL A 667
TYR A 453
TYR A 456
GLY A 683
VAL A 662
1.79A
POP  A1003 ( 3.5A)
None
None
None
U  T  10 ( 3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
ASP A 717
ALA A 706
VAL A 776
TYR A 770
GLY A 774
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
PHE A  48
ALA A 125
ASP A 126
TYR A 129
GLY A  44
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.
4XNX_A_41XA707_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
ALA A 125
VAL A 128
ASP A 126
TYR A 129
GLY A  44
1.60A
None