Ligand ID: TP0


Drugbank ID:
DB00321
(Amitriptyline)


Indication:
- Indicated for the treatment of major depressive disorder in adults

Get human targets for TP0 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TP0' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
PHE A 112
TYR A 161
VAL A 114
LEU B   0
HIS A 163
1.73A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
PHE B  56
VAL B  41
PHE B  75
LEU B 106
ALA B  28
1.60A20.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PHE B1112
GLU B1290
ARG B1131
SER B1139
TYR B1126
1.59A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PHE B1291
GLU B1290
ARG A   4
SER A 284
SER B1284
1.80A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
TYR B 295
VAL B 333
LEU B 235
ALA B 311
SER B 321
1.47A20.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
TYR F 154
PHE F  97
LEU F 100
ALA F 115
SER B  66
1.69A17.86
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
TYR F 154
PHE F  97
LEU F 100
ALA F 115
SER B  66
1.65A17.86
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
PHE A 291
PHE A   3
ARG A 298
ALA B 116
1.75A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A 125
PHE A 291
PHE A   3
ARG A 298
ALA B 116
1.72A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
PHE B 133
VAL B  78
PHE B 117
LEU B  94
ALA B  51
1.72A20.30
APR  B 477 (-3.5A)
None
None
None
APR  B 477 ( 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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
TYR A 114
VAL A 152
LEU A  54
ALA A 130
SER A 140
1.51A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.51A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.51A20.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
PHE W  19
ARG S  78
HIS S  80
ALA S  18
SER O  15
1.64A22.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE C 361
PHE C 360
LEU C 355
ALA C 331
SER C 386
1.76A20.00
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
PHE B 112
GLU B 290
SER A   1
SER B 139
TYR B 126
1.71A21.36
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
PHE A 112
TYR A 161
VAL A 114
PHE B   3
HIS A 163
1.65A22.73
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2xyq NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
VAL A  44
LEU A  95
ALA B  71
SER B  72
TYR B  96
1.19A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
VAL A  44
LEU A  95
ALA B  71
SER B  72
TYR B  96
1.19A20.49
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
PHE A 329
VAL A 497
PHE A 501
PHE A 379
ALA A 350
1.63A19.18
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3e9s NSP3
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.54A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3e9s NSP3
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.54A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
PHE A  56
VAL A  41
PHE A  75
LEU A 106
ALA A  28
1.68A23.08
GOL  A 127 ( 4.6A)
GOL  A 127 (-4.0A)
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B 125
PHE B 291
PHE B   3
ARG B 298
ALA A 116
1.56A21.36
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B 125
PHE B 291
PHE B   3
ARG B 298
ALA A 116
1.57A21.36
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B 125
PHE B 291
PHE B   3
ARG B 298
ALA A 116
1.58A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B 125
PHE B 291
PHE B   3
ARG B 298
ALA A 116
1.61A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PHE A 112
GLU C 290
SER B   1
SER A 139
TYR A 126
1.72A20.72
None
None
PJE  H   5 ( 4.7A)
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PHE A   3
PHE A 291
ARG A   4
ALA A   7
SER B 123
1.70A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		5 / 12
VAL A  44
LEU A  95
ALA B  71
SER B  72
TYR B  96
1.17A17.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.52A22.42
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.54A22.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 12
VAL B 203
PHE B 128
PHE B 148
LEU B 133
HIS B 172
1.45A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 12
VAL B 203
PHE B 128
PHE B 148
LEU B 133
HIS B 172
1.43A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
VAL C 108
PHE D   8
PHE D  60
LEU D   7
GLU C   6
1.64A22.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
PHE B 249
VAL B 244
PHE B 286
LEU B 419
HIS B 257
1.74A16.16
None
None
None
None
ZN  B 602 (-3.2A)
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
PHE D 286
LEU D 419
ALA D  85
SER D 178
TYR D 296
1.77A16.16
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
VAL C 108
PHE D   8
PHE D  60
LEU D   7
GLU C   6
1.66A22.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
PHE B 190
PHE B 133
ALA B 119
SER B 194
TYR B 197
1.70A16.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.49A22.42
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.50A22.42
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5f22 NSP8
NSP7
(SARSr-CoV)		5 / 12
TYR B 154
PHE B  97
LEU B 100
ALA B 115
SER A  66
1.62A18.75
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5f22 NSP8
NSP7
(SARSr-CoV)		5 / 12
TYR B 154
PHE B  97
LEU B 100
ALA B 115
SER A  66
1.68A18.75
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
VAL O 108
PHE D   8
PHE D  60
LEU D   7
GLU O   6
1.61A21.58
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
PHE A 190
PHE A 133
ALA A 119
SER A 194
TYR A 197
1.66A15.93
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
VAL O 108
PHE D   8
PHE D  60
LEU D   7
GLU O   6
1.61A21.58
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
VAL D 203
PHE D 128
PHE D 148
LEU D 133
HIS D 172
1.46A20.87
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
VAL D 203
PHE D 128
PHE D 148
LEU D 133
HIS D 172
1.49A20.87
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
PHE A  89
TYR A 252
VAL A  98
LEU A 132
ARG A 232
1.77A9.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HA9_B_TP0B406_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		5x5f S PROTEIN
(MERS-CoV)		5 / 9
GLU C 357
HIS C 348
SER C 353
SER C 350
TYR C 351
1.27A14.14
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
PHE B 814
GLU B 818
ARG A 691
ALA A 368
SER A 656
1.59A8.97
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE B 364
LEU B 421
ALA B 350
SER B 353
TYR B 356
1.72A9.98
PHE  B 364 ( 1.3A)
LEU  B 421 ( 0.5A)
ALA  B 350 ( 0.0A)
SER  B 353 ( 0.0A)
TYR  B 356 ( 1.3A)
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE B 364
LEU B 421
ALA B 350
SER B 353
TYR B 356
1.70A9.98
PHE  B 364 ( 1.3A)
LEU  B 421 ( 0.5A)
ALA  B 350 ( 0.0A)
SER  B 353 ( 0.0A)
TYR  B 356 ( 1.3A)
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.54A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.52A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE C 329
VAL C 497
PHE C 501
PHE C 379
ALA C 350
1.61A9.98
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE C 364
LEU C 421
ALA C 350
SER C 353
TYR C 356
1.67A9.98
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL B 140
PHE B  89
ALA B 250
SER B 248
SER B  95
1.69A9.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HA9_B_TP0B406_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
GLU A1066
ASN A1117
ILE A1115
SER A1105
TYR A1070
1.79A15.77
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
PHE A 168
PHE A 161
LEU A 222
SER A 165
TYR A 163
1.65A9.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6cs2 ACE2
(Homo
sapiens)		5 / 12
TYR D 127
PHE D 452
ARG D 169
ALA D 501
SER D 507
1.71A13.96
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE A 379
VAL A 382
PHE A 329
PHE A 361
ALA A 371
1.77A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6nur NSP12
(SARSr-CoV)		6 / 12
TYR A 788
PHE A 471
PHE A 745
LEU A 727
HIS A 133
ALA A 702
1.53A11.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6nur NSP7
NSP8
(SARSr-CoV)		5 / 12
TYR D 149
PHE D  92
LEU D  95
ALA D 110
SER C  61
1.67A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6nur NSP7
NSP8
(SARSr-CoV)		5 / 12
TYR D 149
PHE D  92
LEU D  95
ALA D 110
SER C  61
1.72A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		6nur NSP12
(SARSr-CoV)		6 / 12
TYR A 788
PHE A 471
PHE A 745
LEU A 727
HIS A 133
ALA A 702
1.52A11.51
None