Ligand ID: 29E


Drugbank ID:
DB00476
(Duloxetine)


Indication:
For the acute and maintenance treatment of major depressive disorder (MDD), as well as acute management of generalized anxiety disorder. Also used for the management of neuropathic pain associated with diabetic peripheral neuropathy, and fibromyalgia. Has been used in the management of moderate to severe stress urinary incontinence (SUI) in women.

Get human targets for 29E in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '29E'

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.
4MMD_A_29EA603_1
(TRANSPORTER)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
PRO B   6
VAL B   7
ALA A 107
SER B 105
GLY A 104
1.67A13.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
PRO B   6
VAL B   7
ALA B   8
GLY A 100
SER B 105
1.57A13.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
ASP A 122
TYR A  89
TYR A  90
SER A  56
GLY A  57
1.37A13.98
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.
4MM6_A_29EA603_1
(TRANSPORTER)		1xak ORF7A ACCESSORY
PROTEIN
(SARSr-CoV)		5 / 12
ALA A  49
TYR A  60
PHE A  31
SER A  29
GLY A  27
1.52A10.00
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.
4MMD_B_29EB603_1
(TRANSPORTER)		1xak ORF7A ACCESSORY
PROTEIN
(SARSr-CoV)		5 / 12
ALA A  49
TYR A  60
PHE A  31
SER A  29
GLY A  27
1.51A10.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.46A20.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.41A20.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		5 / 12
VAL G  31
ALA G  30
TYR G  27
SER G  36
GLY G  34
1.31A16.06
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.
4MMD_B_29EB603_1
(TRANSPORTER)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
TYR F 484
ASP B  38
ALA B  46
GLY F 434
SER B  44
1.58A13.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
TYR F 484
ASP B  38
ALA B  46
GLY F 434
SER B  44
1.59A13.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
PRO H 123
VAL H 121
SER H 180
SER H 179
GLY H 139
1.57A17.73
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.
4MMD_A_29EA603_1
(TRANSPORTER)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR C  84
VAL C  12
ALA C  69
TYR C  72
PHE C  57
1.60A22.24
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.
4MMD_B_29EB603_1
(TRANSPORTER)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA C 140
TYR C 137
GLY C 101
SER C 104
GLY C 143
1.56A22.24
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.
4MM6_A_29EA603_1
(TRANSPORTER)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.60A22.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
TYR A 484
PRO B 228
TYR B 103
GLY A 434
SER B 101
1.43A14.97
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.
4MMD_A_29EA603_1
(TRANSPORTER)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
ALA D  33
TYR D  32
GLY C 391
SER D  31
GLY C 488
1.63A18.25
None
CL  C  20 ( 4.1A)
None
None
CL  C  20 ( 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.
4MM6_A_29EA603_1
(TRANSPORTER)		2gri NSP3
(SARSr)		5 / 12
ASP A  92
VAL A  45
PHE A  54
VAL A  58
THR A  49
1.39A14.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
TYR A 237
ALA A 255
VAL A 236
GLY A 253
THR A 211
1.49A21.78
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.
4MMD_A_29EA603_1
(TRANSPORTER)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 10
TYR A  88
ASP A  87
PRO A  65
VAL A  66
ALA A 160
1.66A21.79
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.
4MMD_A_29EA603_1
(TRANSPORTER)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
ASP A 202
PRO B  65
VAL B 162
ALA B 160
GLY B 169
1.63A21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
PRO A 111
ALA A 108
GLY A 140
SER A 117
SER A 114
1.53A21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 10
PRO A   9
VAL A 125
TYR A 126
PHE A   8
SER A 123
1.67A20.66
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.
4MMD_A_29EA603_1
(TRANSPORTER)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PRO A   9
VAL A 125
ALA A   7
GLY A 149
PHE A 150
1.64A20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
PRO B 111
ALA B 108
GLY B 140
SER B 117
SER B 114
1.51A21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
VAL B 165
ALA A 283
VAL B 172
SER A 288
GLY A 286
1.47A21.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
TYR E  88
ASP E  87
PRO E  65
VAL E  66
ALA E 160
1.66A21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		2wct NSP3
(SARSr-CoV)		5 / 12
PRO B 588
VAL B 589
ALA B 590
GLY B 614
GLY C 465
1.46A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		2wct NSP3
(SARSr-CoV)		5 / 10
PRO B 588
VAL B 589
ALA B 590
GLY B 614
GLY C 465
1.47A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
TYR B  96
VAL A  44
SER B  67
GLY B  69
THR A  48
1.32A12.94
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.
4MMD_A_29EA603_1
(TRANSPORTER)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP B 289
PRO B 241
ALA B 234
TYR B 239
GLY B 109
1.61A20.00
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.
4MMD_B_29EB603_1
(TRANSPORTER)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
PRO H 123
VAL H 121
SER H 181
SER H 180
GLY H 141
1.43A16.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		3e9s NSP3
(SARSr-CoV)		5 / 12
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.60A22.35
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.
4MMD_B_29EB603_1
(TRANSPORTER)		3e9s NSP3
(SARSr-CoV)		5 / 12
ALA A 140
TYR A 137
GLY A 101
SER A 104
GLY A 143
1.48A22.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		3e9s NSP3
(SARSr-CoV)		5 / 10
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.64A22.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B 114
ALA B 116
GLY B 174
SER B 144
GLY B 143
1.06A20.86
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.
4MMD_A_29EA603_1
(TRANSPORTER)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
VAL B 114
ALA B 116
GLY B 174
SER B 144
GLY B 143
1.05A20.86
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.
4MMD_A_29EA603_1
(TRANSPORTER)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.64A21.58
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.
4MMD_A_29EA603_1
(TRANSPORTER)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR B 126
TYR B 118
GLY B 138
SER B 123
GLY B 124
1.60A20.00
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.
4MMD_A_29EA603_1
(TRANSPORTER)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.62A22.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		5 / 12
TYR B  96
VAL A  44
SER B  67
GLY B  69
THR A  48
1.35A13.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
TYR F 484
ASP B  38
ALA B  65
GLY F 434
SER B  44
1.65A13.45
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.
4MMD_A_29EA603_1
(TRANSPORTER)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.65A21.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ALA A 140
TYR A 137
GLY A 101
SER A 104
GLY A 143
1.54A21.83
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.
4MMD_A_29EA603_1
(TRANSPORTER)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
TYR A 269
ASP A 165
PRO A 300
TYR A 274
GLY A 267
1.62A21.83
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.
4MMD_B_29EB603_1
(TRANSPORTER)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 140
TYR B 137
GLY B 101
SER B 104
GLY B 143
1.49A22.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 12
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.54A22.35
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.
4MMD_A_29EA603_1
(TRANSPORTER)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 10
ASP A 217
PRO A 250
VAL A 307
SER A 247
GLY A 248
1.60A20.27
None
None
PO4  A 404 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
VAL D 181
ALA D  85
PHE D 183
VAL D 184
SER D 112
1.46A21.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
VAL A  21
ALA A  20
PHE B 217
GLY B 202
THR B 219
1.58A14.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
VAL D 181
ALA D  85
PHE D 183
VAL D 184
SER D 112
1.46A21.35
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.
4MMD_B_29EB603_1
(TRANSPORTER)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR D  84
VAL D  12
ALA D  69
TYR D  72
PHE D  57
1.58A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR A 269
ASP A 165
PRO A 300
TYR A 274
GLY A 267
1.57A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
VAL P  21
ALA P  20
PHE C 217
GLY C 202
THR C 219
1.56A15.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
VAL B 181
ALA B  85
PHE B 183
VAL B 184
SER B 112
1.47A21.96
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.
4MMD_A_29EA603_1
(TRANSPORTER)		5r80 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.61A19.58
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.
4MMD_A_29EA603_1
(TRANSPORTER)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.63A16.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.67A16.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR D  84
VAL D  12
ALA D  69
TYR D  72
PHE D  57
1.51A22.08
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.
4MM6_A_29EA603_1
(TRANSPORTER)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR D  84
ALA D  69
TYR D  72
PHE D  57
THR D  11
1.48A22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA B 140
TYR B 137
GLY B 101
SER B 104
GLY B 143
1.40A22.08
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.
4MM6_A_29EA603_1
(TRANSPORTER)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ALA A 881
PHE A1034
PHE A 784
GLY A 780
THR A 863
1.42A18.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
PRO C 370
VAL C 604
TYR C 606
SER C 612
SER C 607
1.42A17.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		5x5c S PROTEIN
(MERS-CoV)		5 / 10
VAL C 374
ALA C 597
GLY C 615
PHE C 617
GLY C 372
1.47A17.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ASP B 580
VAL B 611
SER B 439
GLY B 610
THR C  63
1.57A17.77
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.
4MMD_A_29EA603_1
(TRANSPORTER)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
PRO A 774
ALA B 688
TYR B 689
GLY A 780
SER B 690
1.68A17.24
PRO  A 774 ( 1.1A)
ALA  B 688 ( 0.0A)
TYR  B 689 ( 1.3A)
GLY  A 780 ( 0.0A)
SER  B 690 ( 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.
4MM6_A_29EA603_1
(TRANSPORTER)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA A 881
PHE A1034
PHE A 784
GLY A 780
THR A 863
1.47A18.37
ALA  A 881 ( 0.0A)
PHE  A1034 ( 1.3A)
PHE  A 784 ( 1.3A)
GLY  A 780 ( 0.0A)
THR  A 863 ( 0.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.59A22.41
None
None
NA  A 405 (-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.
4MMD_A_29EA603_1
(TRANSPORTER)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.63A22.26
None
None
None
NA  A 406 (-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.
4MMD_B_29EB603_1
(TRANSPORTER)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ALA A 140
TYR A 137
GLY A 101
SER A 104
GLY A 143
1.48A22.26
None
None
None
NA  A 405 ( 3.9A)
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR A 660
VAL A 642
ALA A 676
TYR A 677
SER A 659
1.33A17.24
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR C 660
VAL C 642
ALA C 676
TYR C 677
SER C 659
1.30A18.37
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA B 881
PHE B1034
PHE B 784
GLY B 780
THR B 863
1.57A16.94
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP B 351
ALA B 371
GLY B 326
PHE B 329
SER B 353
1.51A17.42
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP A 171
VAL A 140
PHE A 238
GLY A 145
THR A 236
1.49A17.42
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
TYR A 778
ALA A 864
TYR C 689
GLY A 781
PHE A 782
1.61A17.42
NAG  A1313 (-3.7A)
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
1.69A19.77
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.68A19.77
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.71A19.77
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.65A19.66
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.69A19.66
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
ASP C 270
PRO C 493
GLY C 272
SER C 487
GLY C 490
1.45A26.79
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL C 125
TYR C 128
TYR C 129
PHE C 283
SER C 431
0.92A26.79
None
None
LEU  C 707 ( 3.9A)
LEU  C 707 (-3.8A)
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
TYR C 129
PHE C 277
PHE C 283
SER C 431
GLY C 434
0.92A27.17
LEU  C 707 ( 3.9A)
LEU  C 707 (-3.3A)
LEU  C 707 (-3.8A)
LEU  C 707 (-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.
4MMD_A_29EA603_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
TYR B 126
TYR B 118
GLY B 138
SER B 123
GLY B 124
1.68A19.58
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR B 126
TYR B 118
GLY B 138
SER B 123
GLY B 124
1.67A19.58
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
1.67A19.58
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR C 126
TYR C 118
GLY C 138
SER C 123
GLY C 124
1.80A19.58
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR D 126
TYR D 118
GLY D 138
SER D 123
GLY D 124
1.78A19.58
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
ASP C 289
PRO C 241
ALA C 234
TYR C 239
GLY C 109
1.77A19.58
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
1.68A19.58
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
ASP D 289
PRO D 241
ALA D 234
TYR D 239
GLY D 109
1.79A19.58
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 10
TYR D 126
TYR D 118
GLY D 138
SER D 123
GLY D 124
1.80A19.58
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.72A19.58
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.68A19.58
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.48A20.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
ASP A  36
PRO A 243
VAL A 128
SER A 236
1.60A20.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 788
ASP A 465
VAL A 704
ALA A 706
VAL A 785
1.80A19.01
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.50A19.01
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ALA A 176
TYR A 175
VAL A 182
GLY A 179
THR A 462
1.59A19.01
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6m71 NSP12
(SARS-CoV-2)		5 / 10
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.47A20.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP A 376
VAL A 314
GLY A 512
PHE A 316
GLY A 531
1.60A17.02
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ASP A 376
VAL A 314
GLY A 512
PHE A 316
GLY A 531
1.57A17.02
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA B 881
PHE B1034
PHE B 784
GLY B 780
THR B 863
1.54A17.02
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
PRO H 137
VAL H 135
SER H 194
SER H 193
GLY H 153
1.44A17.79
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6nur NSP12
(SARSr-CoV)		5 / 10
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.47A20.42
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6nur NSP12
(SARSr-CoV)		5 / 12
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.47A20.42
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6nur NSP12
(SARSr-CoV)		5 / 12
TYR A 619
VAL A 785
ALA A 784
TYR A 788
THR A 701
1.37A18.93
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP B  53
VAL B  36
ALA B 222
TYR B  37
PHE B 275
1.31A18.87
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ASP B  53
VAL B  36
ALA B 222
TYR B  37
PHE B 275
1.34A18.87
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP B  53
VAL B  36
ALA B 222
TYR B  37
PHE B 275
1.35A19.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
TYR A  89
ASP A  88
PRO A  66
VAL A  67
ALA A 161
1.64A22.01
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP C  53
VAL C  36
ALA C 222
TYR C  37
PHE C 275
1.36A18.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL C 576
ALA C 575
PHE C 565
VAL A  42
GLY C 566
1.27A19.14
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ASP B  53
VAL B  36
ALA B 222
TYR B  37
PHE B 275
1.40A18.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP C  53
VAL C  36
ALA C 222
TYR C  37
PHE C 275
1.32A18.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL B 576
ALA B 575
PHE B 565
VAL C  42
GLY B 566
1.27A19.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ASP C  53
VAL C  36
ALA C 222
TYR C  37
PHE C 275
1.36A18.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6w37 PROTEIN 7A
(SARS-CoV-2)		5 / 12
ALA A  49
TYR A  60
PHE A  31
SER A  29
GLY A  27
1.53A6.98
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6w37 PROTEIN 7A
(SARS-CoV-2)		5 / 12
ALA A  49
TYR A  60
PHE A  31
SER A  29
GLY A  27
1.50A7.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO C 384
TYR L  49
TYR L  91
GLY H  94
SER H  99
1.74A15.25
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
PRO H 123
VAL H 121
SER H 180
SER H 179
GLY H 139
1.53A15.57
None
None
None
GOL  L 301 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO C 384
VAL C 382
TYR L  32
SER H  99
GLY H  97
1.78A15.25
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 10
PRO C 384
VAL C 382
TYR L  32
SER H  99
GLY H  97
1.79A15.25
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6w4h NSP16
(SARS-CoV-2)		5 / 10
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.55A20.15
None
None
None
SAM  A7102 ( 4.5A)
SAM  A7102 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6w4h NSP16
(SARS-CoV-2)		5 / 12
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.53A20.15
None
None
None
SAM  A7102 ( 4.5A)
SAM  A7102 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6w4h NSP10
NSP16
(SARS-CoV-2)		5 / 12
TYR B4349
VAL A6842
SER B4320
GLY B4322
THR A6846
1.33A12.93
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
VAL A6916
ALA A6914
TYR A6950
GLY A6911
THR A6918
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.69A
None
None
None
SAM  A7104 (-4.4A)
SAM  A7104 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
TYR B4349
VAL A6842
SER B4320
GLY B4322
THR A6846
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.73A
None
None
None
SAM  A7104 (-4.4A)
SAM  A7104 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6w6y NSP3
(SARS-CoV-2)		5 / 12
PRO B  98
VAL B  96
ALA B 112
GLY B 130
PHE B 132
1.60A
None
None
None
MES  B 201 ( 3.4A)
MES  B 201 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6w6y NSP3
(SARS-CoV-2)		5 / 10
PRO B  98
VAL B  96
ALA B 112
GLY B 130
PHE B 132
1.58A
None
None
None
MES  B 201 ( 3.4A)
MES  B 201 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		5 / 12
VAL C6916
ALA C6914
TYR C6950
GLY C6911
THR C6918
1.69A14.34
None
None
None
NA  C7104 ( 4.1A)
FMT  C7113 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ASP C6900
ALA C6877
GLY C6911
SER C6872
GLY C6871
1.77A14.94
None
None
NA  C7104 ( 4.1A)
SAM  C7105 ( 4.4A)
SAM  C7105 ( 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.
4MM6_A_29EA603_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 12
TYR B4349
VAL A6842
SER B4320
GLY B4322
THR A6846
1.37A12.93
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.55A14.94
None
None
None
SAM  A7102 ( 4.6A)
SAM  A7102 ( 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.
4MM6_A_29EA603_1
(TRANSPORTER)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 12
TYR D4349
VAL C6842
SER D4320
GLY D4322
THR C6846
1.34A12.93
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.53A14.94
None
None
None
SAM  A7102 ( 4.6A)
SAM  A7102 ( 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.
4MM6_A_29EA603_1
(TRANSPORTER)		6w75 NSP16
(SARS-CoV-2)		5 / 12
VAL A6916
ALA A6914
TYR A6950
GLY A6911
THR A6918
1.69A14.34
None
None
FMT  A7109 ( 4.9A)
None
FMT  A7109 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ASP C 302
ALA C 114
TYR C 112
TYR C 273
SER C 262
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ASP A 302
ALA A 114
TYR A 112
TYR A 273
SER A 262
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ASP C 302
ALA C 114
TYR C 112
TYR C 273
SER C 262
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		6 / 12
ASP A 302
ALA A 114
TYR A 112
TYR A 273
SER A 262
THR A 168
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wcf NSP3
(SARS-CoV-2)		5 / 12
PRO A  98
VAL A  96
ALA A 112
GLY A 130
PHE A 132
1.63A
None
None
None
MES  A 201 (-3.2A)
MES  A 201 (-2.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6wcf NSP3
(SARS-CoV-2)		5 / 10
PRO A  98
VAL A  96
ALA A 112
GLY A 130
PHE A 132
1.60A
None
None
None
MES  A 201 (-3.2A)
MES  A 201 (-2.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP C6900
ALA C6877
GLY C6911
SER C6872
GLY C6871
1.70A
None
None
FMT  C7107 ( 3.7A)
SAH  C7102 (-4.7A)
SAH  C7102 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ASP C6900
ALA C6877
GLY C6911
SER C6872
GLY C6871
1.74A
None
None
FMT  C7107 ( 3.7A)
SAH  C7102 (-4.7A)
SAH  C7102 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.50A
None
None
None
SAH  A7102 ( 4.6A)
SAH  A7102 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
VAL A6916
ALA A6914
TYR A6950
GLY A6911
THR A6918
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
TYR B4349
VAL A6842
SER B4320
GLY B4322
THR A6846
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.52A
None
None
None
SAH  A7102 ( 4.6A)
SAH  A7102 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
TYR D4349
VAL C6842
SER D4320
GLY D4322
THR C6846
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
VAL C6916
ALA C6914
TYR C6950
GLY C6911
THR C6918
1.70A
None
None
None
FMT  C7107 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ASP C  81
ALA B 173
TYR B 172
GLY B  60
SER C  79
1.78A
None
None
None
None
ZN  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR D 172
ASP A  81
GLY D 170
SER A  79
SER A  78
1.80A
None
None
None
ZN  A 201 (-3.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
ASP D  81
ALA C 173
TYR C 172
GLY C  60
SER D  78
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ASP D  81
ALA C 173
TYR C 172
GLY C  60
SER D  78
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ASP D  81
ALA C 173
GLY C  60
SER D  79
SER D  78
1.55A
None
None
None
ZN  D 202 ( 4.1A)
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
VAL C6916
ALA C6914
TYR C6950
GLY C6911
THR C6918
1.69A
None
None
None
NA  C7102 ( 4.2A)
FMT  C7108 ( 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.
4MM6_A_29EA603_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 12
TYR B4349
VAL A6842
SER B4320
GLY B4322
THR A6846
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.50A
None
None
NA  A7102 ( 4.2A)
SFG  A7103 ( 4.5A)
SFG  A7103 ( 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.
4MMD_A_29EA603_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.52A
None
None
NA  A7102 ( 4.2A)
SFG  A7103 ( 4.5A)
SFG  A7103 ( 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.
4MM6_A_29EA603_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
VAL A6916
ALA A6914
TYR A6950
GLY A6911
THR A6918
1.67A
None
None
None
NA  A7102 ( 4.2A)
FMT  A7108 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ASP C6900
ALA C6877
GLY C6911
SER C6872
GLY C6871
1.75A
None
None
NA  C7102 ( 4.2A)
SFG  C7103 ( 4.5A)
SFG  C7103 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 12
TYR D4349
VAL C6842
SER D4320
GLY D4322
THR C6846
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
TYR B  89
ASP B  88
PRO B  66
VAL B  67
ALA B 161
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
TYR A  89
ASP A  88
PRO A  66
VAL A  67
ALA A 161
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
TYR A  89
ASP A  88
PRO A  66
VAL A  67
ALA A 161
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
TYR B  89
ASP B  88
PRO B  66
VAL B  67
ALA B 161
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
TYR A 126
TYR A 118
GLY A 138
PHE A 140
SER A 123
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PRO D  98
VAL D  96
ALA D 112
GLY D 130
PHE D 132
1.72A
None
None
None
APR  D 201 (-3.2A)
APR  D 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PRO A  98
VAL A  96
ALA A 112
GLY A 130
PHE A 132
1.74A
None
None
None
APR  A 201 (-3.5A)
APR  A 201 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
PRO D  98
VAL D  96
ALA D 112
GLY D 130
PHE D 132
1.70A
None
None
None
APR  D 201 (-3.2A)
APR  D 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
PRO A  98
VAL A  96
ALA A 112
GLY A 130
PHE A 132
1.71A
None
None
None
APR  A 201 (-3.5A)
APR  A 201 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PRO B  98
VAL B  96
ALA B 112
GLY B 130
PHE B 132
1.74A
None
None
None
APR  B 201 (-3.3A)
APR  B 201 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
PRO C  98
VAL C  96
ALA C 112
GLY C 130
PHE C 132
1.68A
None
None
None
APR  C 201 (-3.0A)
APR  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
PRO B  98
VAL B  96
ALA B 112
GLY B 130
PHE B 132
1.72A
None
None
None
APR  B 201 (-3.3A)
APR  B 201 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PRO C  98
VAL C  96
ALA C 112
GLY C 130
PHE C 132
1.70A
None
None
None
APR  C 201 (-3.0A)
APR  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6900
ALA A6877
GLY A6911
SER A6872
GLY A6871
1.71A
None
None
None
SO4  A7109 (-4.5A)
SAH  A7101 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
TYR B4349
VAL A6842
SER B4320
GLY B4322
THR A6846
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
TYR B4349
PRO A6878
VAL A6842
SER B4320
GLY B4322
1.79A
None
SAH  A7101 (-3.9A)
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 10
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
ASP A 302
ALA A 114
TYR A 112
TYR A 273
SER A 262
1.78A
None
None
None
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
ALA A 139
TYR A 136
GLY A 100
SER A 103
GLY A 142
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
ASP A 302
ALA A 114
TYR A 112
TYR A 273
SER A 262
1.78A
None
None
None
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.70A16.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
1.67A16.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.66A16.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
1.69A16.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR A 380
TYR C 102
SER B 103
GLY B 101
THR B  58
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
PRO H 127
VAL H 125
SER H 184
SER H 183
GLY H 143
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR E 380
TYR L 102
SER H 103
GLY H 101
THR H  58
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 10
PRO A 384
TYR C  97
GLY B  98
SER B 103
GLY B 101
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
PRO B 127
VAL B 125
SER B 184
SER B 183
GLY B 143
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 10
PRO E 384
TYR L  97
GLY H  98
SER H 103
GLY H 101
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
PRO H 127
VAL H 125
SER H 184
SER H 183
GLY H 143
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 10
PRO E 384
TYR L  97
GLY H  98
SER H 103
GLY H 101
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 10
PRO A 384
TYR C  97
GLY B  98
SER B 103
GLY B 101
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR E 380
TYR L 102
SER H 103
GLY H 101
THR H  58
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.
4MM6_A_29EA603_1
(TRANSPORTER)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR A 380
TYR C 102
SER B 103
GLY B 101
THR B  58
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
PRO B 127
VAL B 125
SER B 184
SER B 183
GLY B 143
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 10
PRO E 384
TYR L  97
GLY H  98
SER H 103
GLY H 101
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
PRO H 127
VAL H 125
SER H 184
SER H 183
GLY H 143
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.69A
None
None
None
PEG  A 404 (-3.8A)
PEG  A 405 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
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.
4MMD_B_29EB603_1
(TRANSPORTER)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
1.73A
None
None
None
PEG  A 404 (-3.8A)
PEG  A 405 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
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.
4MMD_A_29EA603_1
(TRANSPORTER)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PRO E  98
VAL E  96
ALA E 112
GLY E 130
PHE E 132
1.69A
None
None
None
APR  E 201 (-3.2A)
APR  E 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PRO E  98
VAL E  96
ALA E 112
GLY E 130
PHE E 132
1.71A
None
None
None
APR  E 201 (-3.2A)
APR  E 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PRO C  98
VAL C  96
ALA C 112
GLY C 130
PHE C 132
1.71A
None
None
None
APR  C 201 (-3.2A)
APR  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PRO A  98
VAL A  96
ALA A 112
GLY A 130
PHE A 132
1.72A
None
None
None
APR  A 201 ( 3.2A)
APR  A 201 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PRO D  98
VAL D  96
ALA D 112
GLY D 130
PHE D 132
1.70A
None
None
None
APR  D 201 (-3.2A)
APR  D 201 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PRO B  98
VAL B  96
ALA B 112
GLY B 130
PHE B 132
1.73A
None
None
None
APR  B 201 (-3.2A)
APR  B 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PRO D  98
VAL D  96
ALA D 112
GLY D 130
PHE D 132
1.72A
None
None
None
APR  D 201 (-3.2A)
APR  D 201 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PRO A  98
VAL A  96
ALA A 112
GLY A 130
PHE A 132
1.61A
None
None
None
MES  A 201 (-3.1A)
MES  A 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PRO A  98
VAL A  96
ALA A 112
GLY A 130
PHE A 132
1.63A
None
None
None
MES  A 201 (-3.1A)
MES  A 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PRO C  98
VAL C  96
ALA C 112
GLY C 130
PHE C 132
1.65A
None
None
None
MES  C 201 (-3.3A)
MES  C 201 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PRO C  98
VAL C  96
ALA C 112
GLY C 130
PHE C 132
1.67A
None
None
None
MES  C 201 (-3.3A)
MES  C 201 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 10
TYR A 126
TYR A 118
GLY A 138
SER A 123
GLY A 124
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.
4MMD_A_29EA603_1
(TRANSPORTER)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_A_29EA603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 10
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 833
VAL A 880
TYR A 877
GLY A 839
SER A 434
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
ASP A  36
PRO A 243
VAL A 128
SER A 236
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 10
ASP A 274
PRO A 328
TYR A 273
GLY A 352
GLY A 345
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.
4MM6_A_29EA603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
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.
4MMD_A_29EA603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 10
ASP A 833
VAL A 880
TYR A 877
GLY A 839
SER A 434
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 274
PRO A 328
TYR A 273
GLY A 352
GLY A 345
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.
4MM6_A_29EA603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
ALA A 176
TYR A 175
VAL A 182
GLY A 179
THR A 462
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.
4MM6_A_29EA603_1
(TRANSPORTER)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
ALA A 923
TYR A 595
TYR A 925
PHE A 920
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_A_29EA603_1
(TRANSPORTER)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 10
ASP A 289
PRO A 241
ALA A 234
TYR A 239
GLY A 109
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
ASP A  36
PRO A 243
VAL A 128
SER A 236
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.
4MM6_A_29EA603_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ALA A 685
VAL A 560
SER A 681
GLY A 683
THR A 567
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.
4MM6_A_29EA603_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ALA A 176
TYR A 175
VAL A 182
GLY A 179
THR A 462
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 833
VAL A 880
TYR A 877
GLY A 839
SER A 434
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 274
PRO A 328
TYR A 273
GLY A 352
GLY A 345
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7bv1 NSP12
NSP7
(SARS-CoV-2)		5 / 12
ASP C   5
VAL A 424
ALA A 423
TYR A 420
SER C   4
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.
4MMD_A_29EA603_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
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.
4MMD_A_29EA603_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
ASP A 274
PRO A 328
TYR A 273
GLY A 352
GLY A 345
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.
4MM6_A_29EA603_1
(TRANSPORTER)		7bv1 NSP12
NSP7
(SARS-CoV-2)		5 / 12
ASP C   5
VAL A 424
ALA A 423
TYR A 420
SER C   4
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
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.
4MM6_A_29EA603_1
(TRANSPORTER)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
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.
4MM6_A_29EA603_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 788
ASP A 465
VAL A 704
ALA A 706
VAL A 785
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
ASP A  36
PRO A 243
VAL A 128
SER A 236
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.
4MMD_A_29EA603_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
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.
4MM6_A_29EA603_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 274
PRO A 328
TYR A 273
GLY A 352
GLY A 345
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.
4MMD_B_29EB603_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
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.
4MMD_A_29EA603_1
(TRANSPORTER)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
ASP A 274
PRO A 328
TYR A 273
GLY A 352
GLY A 345
1.66A
None