Ligand ID: GBN


Drugbank ID:
DB00996
(Gabapentin)


Indication:
For the management of postherpetic neuralgia in adults and as adjunctive therapy in the treatment of partial seizures with and without secondary generalization in patients over 12 years of age with epilepsy.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'GBN' 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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.73A22.98
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR B 161
MET B 130
THR B 135
TYR B 126
VAL B 114
1.64A23.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
TYR B1161
MET B1130
ALA B1173
TYR B1126
VAL B1114
1.70A22.96
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR B1161
MET B1130
ALA B1173
TYR B1126
VAL B1114
1.78A22.96
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR B1126
VAL B1114
MET B1130
THR B1135
ALA B1173
1.67A22.96
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.68A22.50
None
None
None
None
AZP  A 307 ( 4.6A)
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.68A22.96
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR A 161
MET A 130
THR A 135
TYR A 126
VAL A 114
1.66A22.96
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
TYR A 161
MET A 130
ALA A 173
TYR A 126
VAL A 114
1.68A23.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 8
THR G 283
GLY H 336
THR G 333
ALA H 337
1.03A14.79
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 8
TYR H 269
GLY G 317
THR H 264
ALA H 265
0.93A17.39
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR B 126
VAL B 114
MET B 130
THR B 135
ALA B 173
1.61A23.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 9
VAL H  97
THR S 487
GLY S 434
THR S 431
ALA S 430
1.71A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
THR S 487
GLY S 434
THR S 431
ALA S 430
VAL H  97
1.70A23.15
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 8
THR S 487
GLY S 434
THR S 431
ALA S 430
VAL H  97
1.58A18.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 10
TYR H  32
GLY H  26
THR H  28
ALA H  24
VAL H 102
1.80A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
PHE C 259
GLY C 299
GLU C 251
THR C 302
ALA C 250
1.76A23.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TYR B 137
GLY B 143
ALA B 140
ALA B 145
1.02A23.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 8
THR Q  58
GLY Q  50
THR Q  49
VAL O  21
1.06A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
ARG B 223
TYR A 481
GLY A 391
GLY A 488
THR A 487
1.71A22.19
None
None
None
CL  A  88 (-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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
TYR A 161
MET A 130
ALA A 173
TYR A 126
VAL A 114
1.71A22.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 10
TYR A 124
GLY A  70
THR A 136
ALA A 135
VAL A 132
1.42A16.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		4 / 8
GLY A  70
THR A 136
ALA A 135
VAL A 132
1.13A16.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 11
TYR B 161
MET B 130
ALA B 173
TYR B 126
VAL B 114
1.73A22.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.67A22.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
GLY A 286
THR A 285
ALA A 283
TYR B  88
1.18A20.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 9
TYR B 126
VAL B 114
MET B 130
THR B 135
ALA B 173
1.69A22.96
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 11
TYR A 161
MET A 130
ALA A 173
TYR A 126
VAL A 114
1.68A22.96
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 9
TYR B 126
VAL B 114
MET B 130
THR B 135
ALA B 173
1.69A24.16
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.70A22.77
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 9
TYR B 126
VAL B 114
MET B 130
THR B 135
ALA B 173
1.71A21.46
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		2w2g NSP3
(SARSr-CoV)		5 / 10
PHE B 615
GLY B 494
GLY B 465
ALA A 464
ALA B 464
1.67A24.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
ARG A 283
GLY A 256
THR A 257
ALA A 258
1.15A22.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		5 / 8
TYR H  52
THR S 363
THR H  30
TYR S 494
VAL S 394
1.72A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
PHE B 274
TYR B 515
ARG B 273
THR B 371
GLY B 405
1.56A21.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
TYR A 161
MET A 130
THR A 135
TYR A 126
VAL A 114
1.58A22.77
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR A 161
MET A 130
THR A 135
TYR A 126
VAL A 114
1.66A22.77
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR A 239
GLY B 283
THR B 280
ALA B 285
ALA B 284
1.63A22.19
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 283
THR B 280
ALA B 285
ALA B 284
1.09A22.19
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		3e9s NSP3
(SARSr-CoV)		4 / 8
TYR A 137
GLY A 143
ALA A 140
ALA A 145
1.11A23.01
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR B 161
MET B 130
THR B 135
TYR B 126
VAL B 114
1.64A23.98
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.69A23.98
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.67A23.98
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PHE B   8
ARG B 298
GLU B 290
THR B 292
ALA B 291
1.66A22.19
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 283
THR B 280
ALA B 285
ALA B 284
1.12A22.19
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR B 161
MET B 130
THR B 135
TYR B 126
VAL B 114
1.67A23.98
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR B 161
GLY B 170
GLU B 166
GLY B 138
ALA B 140
1.67A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR B 161
MET B 130
THR B 135
TYR B 126
VAL B 114
1.72A21.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR A 161
MET A 130
THR A 135
TYR A 126
VAL A 114
1.64A22.70
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.74A22.70
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
TYR A 161
MET A 130
THR A 135
TYR A 126
VAL A 114
1.55A22.70
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
TYR C 161
MET C 130
THR C 135
TYR C 126
VAL C 114
1.56A22.96
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR C 161
MET C 130
THR C 135
TYR C 126
VAL C 114
1.61A22.96
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR B 126
VAL B 114
MET B 130
THR B 135
ALA B 173
1.55A22.96
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR B 126
VAL B 114
MET B 130
THR B 135
ALA B 173
1.68A24.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR A 239
GLY B 283
THR B 280
ALA B 285
ALA B 284
1.66A22.19
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR B 126
VAL B 114
MET B 130
THR B 135
ALA B 173
1.69A24.11
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B 283
THR B 280
ALA B 285
TYR A 239
1.01A23.59
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3scj ACE2
(Homo
sapiens)		5 / 11
PHE B 274
TYR B 515
ARG B 273
THR B 371
GLY B 405
1.46A21.92
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		3scj ACE2
(Homo
sapiens)		5 / 10
PHE A 274
ARG A 273
GLU A 406
THR A 519
ALA A 403
1.65A21.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
PHE B 274
TYR B 515
ARG B 273
THR B 371
GLY B 405
1.43A21.81
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.67A22.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 11
PHE A   9
TYR A  59
GLY A  62
THR A  64
TYR A   7
1.68A22.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR B 126
VAL B 114
MET B 130
THR B 135
ALA B 173
1.70A21.94
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR B 161
MET B 130
THR B 135
TYR B 126
VAL B 114
1.68A21.94
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
PHE A 259
GLY A 299
GLU A 251
THR A 302
ALA A 250
1.70A20.83
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
TYR A 137
GLY A 143
ALA A 140
ALA A 145
1.01A20.83
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
TYR A 161
MET A 130
ALA A 173
TYR A 126
VAL A 114
1.69A22.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.70A22.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 8
TYR A 137
GLY A 143
ALA A 140
ALA A 145
0.99A23.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		4 / 8
TYR A  36
GLY A  29
THR A  43
VAL A  12
1.19A21.73
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 10
PHE A 259
GLY A 299
GLU A 251
THR A 302
ALA A 250
1.80A23.03
None
None
None
S88  A 902 (-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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.64A22.96
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
TYR A 161
MET A 130
ALA A 173
TYR A 126
VAL A 114
1.64A22.96
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR A 161
MET A 130
THR A 135
TYR A 126
VAL A 114
1.64A22.19
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
TYR A 161
MET A 130
THR A 135
TYR A 126
VAL A 114
1.57A22.19
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
TYR A 161
MET A 130
THR A 135
TYR A 126
VAL A 114
1.66A22.96
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
ARG B  84
GLY B 114
GLY B 110
ALA B 274
ALA B 270
1.66A18.75
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5c8t NSP10
(SARSr-CoV)		5 / 10
PHE C 110
TYR C 126
GLY C 127
GLY C  52
ALA C  54
1.49A18.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
PHE D 436
GLY D 417
THR D 403
TYR D 392
VAL D 389
1.70A22.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 8
ARG B  84
GLY B 114
GLY B 110
ALA B 274
ALA B 270
1.71A19.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
PHE D 240
ARG D 180
GLY D 202
THR D 215
ALA D 214
1.50A19.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 8
THR B  25
GLY A  69
THR B  21
ALA A  71
1.17A20.82
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
PHE D 259
GLY D 299
GLU D 251
THR D 302
ALA D 250
1.65A21.11
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TYR D 137
GLY D 143
ALA D 140
ALA D 145
1.06A21.11
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 11
PHE D 436
GLY D 417
THR D 403
TYR D 392
VAL D 389
1.68A21.93
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
THR B  25
GLY N  69
THR B  21
ALA N  71
1.05A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
PHE A 240
ARG A 180
GLY A 202
THR A 215
ALA A 214
1.51A19.25
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
PHE D 259
GLY D 299
GLU D 251
THR D 302
ALA D 250
1.62A23.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TYR D 137
GLY D 143
ALA D 140
ALA D 145
0.94A23.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TYR D  36
GLY D  29
THR D  43
VAL D  12
1.03A21.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
GLY A 298
GLY A 587
THR A 588
ALA A 590
0.78A13.29
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
GLY A 128
THR A 127
ALA A 138
ALA A 309
1.10A20.67
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
TYR B 771
THR B 865
GLY B 867
THR B 869
ALA B 875
1.70A15.01
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
GLY A 871
GLY A 867
THR A 863
ALA A 866
0.93A12.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
PHE C 779
GLY C 862
THR C 773
ALA C 857
ALA C 858
1.69A12.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
THR C 773
GLY C 862
THR C 863
ALA C 864
0.75A14.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
GLY B 128
THR B 127
ALA B 138
ALA B 309
1.10A12.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR A 773
GLY A 862
THR A 863
ALA A 864
0.88A13.84
THR  A 773 ( 0.8A)
GLY  A 862 ( 0.0A)
THR  A 863 ( 0.8A)
ALA  A 864 ( 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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ARG A1089
GLY C 871
GLY C 873
ALA C 875
ALA C 874
1.59A13.29
ARG  A1089 ( 0.6A)
GLY  C 871 ( 0.0A)
GLY  C 873 ( 0.0A)
ALA  C 875 ( 0.0A)
ALA  C 874 ( 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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
TYR A 137
GLY A 143
ALA A 140
ALA A 145
1.05A21.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
PHE C 784
TYR A 689
GLY C 867
ALA C 866
ALA C 875
1.70A13.29
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
PHE A 784
TYR B 689
GLY A 867
ALA A 866
VAL A 860
1.63A15.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR C 773
GLY C 862
THR C 863
ALA C 864
0.66A13.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
TYR B 622
GLY B 625
THR B 624
TYR B 598
VAL B 596
1.76A15.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
GLY B  68
THR B  92
ALA B  91
ALA B  90
1.12A13.29
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
THR A 773
GLY A 862
THR A 863
ALA A 864
0.82A14.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
TYR A 771
THR A 865
GLY A 867
THR A 869
ALA A 875
1.70A15.22
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
GLY A 871
GLY A 867
THR A 863
ALA A 866
0.92A13.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
VAL A 496
TYR A 352
THR A 363
THR A 372
ALA A 371
1.51A15.30
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
PHE B 779
GLY B 862
THR B 863
ALA B 866
ALA B 875
1.52A13.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
PHE B 179
TYR B 252
THR B  71
GLY B  68
VAL B  97
1.37A15.30
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
THR C 773
GLY C 862
THR C 863
ALA C 864
0.75A14.66
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
GLY A 871
GLY A 867
THR A 863
ALA A 866
0.82A13.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
TYR B 771
THR B 865
GLY B 867
THR B 869
ALA B 875
1.61A15.30
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6jyt HELICASE
(SARSr-CoV)		5 / 9
VAL A 157
TYR A 217
ARG A 186
GLY A 213
THR A 215
1.57A21.70
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6jyt HELICASE
(SARSr-CoV)		5 / 8
TYR A 217
ARG A 186
GLY A 213
THR A 215
VAL A 157
1.59A20.00
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6jyt HELICASE
(SARSr-CoV)		5 / 11
TYR A 217
ARG A 186
GLY A 213
THR A 215
VAL A 157
1.61A21.70
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.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6jyt HELICASE
(SARSr-CoV)		5 / 10
TYR A 217
ARG A 186
GLY A 213
THR A 215
VAL A 157
1.63A21.70
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6m1d ACE2
(Homo
sapiens)		4 / 8
TYR D 381
GLY D 399
ALA D 396
VAL D 573
1.08A19.66
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6m1d ACE2
(Homo
sapiens)		5 / 10
TYR B 381
TYR B 521
GLY B 399
GLU B 402
GLY B 405
1.68A18.14
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
TYR C1029
TYR B 886
GLY B 867
GLY B 871
ALA B 872
1.66A13.23
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
THR C 773
GLY C 862
THR C 863
ALA C 864
0.77A14.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ARG B 977
GLY A 981
GLY A 953
ALA A 954
0.93A13.23
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.
2EJ3_B_GBNB914_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 10
TYR H 159
GLY H   9
THR H 122
ALA H 124
ALA H  10
1.68A21.20
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6nus NSP12
(SARSr-CoV)		4 / 8
GLY A 179
THR A 248
ALA A 176
TYR A 156
1.19A17.01
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		6vw1 ACE2
(Homo
sapiens)		5 / 11
PHE B 274
TYR B 515
ARG B 273
THR B 371
GLY B 405
1.57A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  91
TYR L  36
GLY H  35
ALA H  93
1.77A20.17
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  36
GLY H 104
GLY H  94
ALA H  93
1.79A19.30
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.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
TYR H  79
GLY H  53
THR H  77
ALA H  78
1.48A19.93
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  91
GLY H  94
GLY H  97
THR H 100
1.59A19.30
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
TYR H  79
GLY H  53
THR H  77
ALA H  78
1.48A19.93
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
GLY H 134
THR H 183
ALA H 137
ALA H 136
1.29A19.93
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.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  91
GLY H  94
GLY H  97
THR H 100
1.59A19.30
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.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  36
GLY H  95
GLY H  35
ALA H  93
1.55A19.30
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.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
VAL H 152
TYR H 145
THR H 165
ALA H 168
1.72A18.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
VAL L 115
GLY H 134
THR H 135
ALA H 136
1.55A20.17
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  36
GLY H  95
GLY H  35
ALA H  93
1.56A19.30
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLY H 134
THR H 135
ALA H 136
VAL L 115
1.53A18.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
TYR H 145
THR H 165
ALA H 168
VAL H 152
1.74A18.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
GLY H 134
THR H 183
ALA H 137
ALA H 136
1.27A19.93
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  36
GLY H  35
ALA H  93
TYR L  91
1.78A20.17
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.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL H 156
TYR H 149
THR H 169
ALA H 172
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
THR H 113
GLY B   8
THR B   9
VAL H 115
1.57A
None
MLI  H 305 (-3.2A)
MLI  B 304 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  80
GLY H  54
THR H  78
ALA H  79
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY B 137
THR B 187
ALA B 141
ALA B 140
1.25A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
THR B 113
GLY H   8
THR H   9
VAL B 115
1.54A
None
MLI  B 304 ( 4.0A)
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY B 138
THR B 187
ALA B 141
ALA B 140
1.25A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  80
GLY H  54
THR H  78
ALA H  79
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY H 138
THR H 187
ALA H 141
ALA H 140
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL B 115
THR B 113
GLY H   8
THR H   9
1.51A
None
None
MLI  B 304 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY B 138
THR B 187
ALA B 141
ALA B 140
1.23A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR B  80
GLY B  54
THR B  78
ALA B  79
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL H 115
THR H 113
GLY B   8
THR B   9
1.53A
None
None
MLI  H 305 (-3.2A)
MLI  B 304 (-4.0A)
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY H 138
THR H 187
ALA H 141
ALA H 140
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY B 137
THR B 187
ALA B 141
ALA B 140
1.25A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR B  80
GLY B  54
THR B  78
ALA B  79
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  80
GLY H  54
THR H  78
ALA H  79
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L  42
GLY H  99
GLY H  35
ALA H  97
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H 149
THR H 169
ALA H 172
VAL H 156
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  80
GLY H  54
THR H  78
ALA H  79
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL H 156
TYR H 149
THR H 169
ALA H 172
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
TYR L  42
GLY H  99
GLY H  35
ALA H  97
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY H 138
THR H 187
ALA H 141
ALA H 140
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
VAL L 121
GLY H 138
THR H 139
ALA H 140
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY H 138
THR H 187
ALA H 141
ALA H 140
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY H 138
THR H 139
ALA H 140
VAL L 121
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR B  80
GLY B  54
THR B  78
ALA B  79
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR H  80
GLY H  54
THR H  78
ALA H  79
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR H  80
GLY H  54
THR H  78
ALA H  79
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
GLY B 138
THR B 187
ALA B 141
ALA B 140
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
GLY H 138
THR H 187
ALA H 141
ALA H 140
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
GLY B 138
THR B 187
ALA B 141
ALA B 140
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
GLY H 138
THR H 187
ALA H 141
ALA H 140
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
VAL H 156
TYR H 149
THR H 169
ALA H 172
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.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR B  80
GLY B  54
THR B  78
ALA B  79
1.43A
None