POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View 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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		1buy PROTEIN
(ERYTHROPOIETIN)
(Homo
sapiens)		4 / 8THR A 163
GLY A 158
THR A 157
ALA A 160
None
0.85A17.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 8TYR A 141
ARG A 143
GLY A 312
THR A 313
ALA A 314
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
0.14A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8TYR A 141
ARG A 143
THR A 240
GLY A 312
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
ILP  A 400 (-3.5A)
0.61A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		6 / 8TYR A 159
ARG A 161
THR A 258
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.8A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.37A57.65
Potential target for repurposing, i.e. matched protein structure has less than 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)		2kmx COPPER-TRANSPORTING
ATPASE 1
(Homo
sapiens)		4 / 8GLY A1078
THR A1079
ALA A1080
VAL A1218
None
0.63A20.17
Potential target for repurposing, i.e. matched protein structure has less than 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)		3p1j GTPASE IMAP FAMILY
MEMBER 2
(Homo
sapiens)		4 / 8THR A 141
GLY A 176
ALA A 174
VAL A 129
None
UNX  A   1 ( 4.0A)
None
None
0.78A24.02
Potential target for repurposing, i.e. matched protein structure has less than 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)		5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT
(Homo
sapiens)		4 / 8GLY C1240
THR C1237
ALA C1236
VAL C1248
None
0.86A16.01
Potential target for repurposing, i.e. matched protein structure has less than 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)		1buy PROTEIN
(ERYTHROPOIETIN)
(Homo
sapiens)		4 / 8THR A 163
GLY A 158
THR A 157
ALA A 160
None
0.84A17.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 8TYR A 141
ARG A 143
GLY A 312
THR A 313
ALA A 314
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
0.15A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 8TYR A 141
ARG A 143
THR A 240
GLY A 312
THR A 313
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
0.64A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		6 / 8TYR A 159
ARG A 161
THR A 258
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.8A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.40A57.65
Potential target for repurposing, i.e. matched protein structure has less than 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)		2kmx COPPER-TRANSPORTING
ATPASE 1
(Homo
sapiens)		4 / 8VAL A1218
GLY A1078
THR A1079
ALA A1080
None
0.67A20.17
Potential target for repurposing, i.e. matched protein structure has less than 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)		2xtp GTPASE IMAP FAMILY
MEMBER 2
(Homo
sapiens)		4 / 8VAL A 129
THR A 141
GLY A 176
ALA A 174
None
0.81A21.67
Potential target for repurposing, i.e. matched protein structure has less than 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)		3fq4 INTEGRIN BETA-4
(Homo
sapiens)		4 / 8VAL A1001
GLY A1031
THR A1032
ALA A1033
None
0.88A16.62
Potential target for repurposing, i.e. matched protein structure has less than 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)		3p1j GTPASE IMAP FAMILY
MEMBER 2
(Homo
sapiens)		4 / 8VAL A 129
THR A 141
GLY A 176
ALA A 174
None
None
UNX  A   1 ( 4.0A)
None
0.77A24.02
Potential target for repurposing, i.e. matched protein structure has less than 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)		3pg7 NEUROFIBROMIN
(Homo
sapiens)		5 / 8TYR A1762
ARG A1590
GLY A1737
THR A1739
ALA A1740
None
1.45A21.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		6 / 10TYR A 141
ARG A 143
MET A 241
GLY A 312
THR A 313
ALA A 314
ILP  A 400 (-4.5A)
None
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
0.34A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		6 / 10TYR A 141
ARG A 143
THR A 240
MET A 241
GLY A 312
THR A 313
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
0.77A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 10TYR A 173
MET A 241
GLY A 312
THR A 313
ALA A 314
None
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
1.18A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 10TYR A 173
THR A 240
MET A 241
GLY A 312
THR A 313
None
ILP  A 400 (-3.9A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
1.18A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		7 / 10TYR A 159
ARG A 161
THR A 258
MET A 259
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.8A)
CBC  A1401 (-3.3A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.46A98.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		6 / 10TYR A 159
TYR A 191
MET A 259
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.3A)
CBC  A1401 (-4.1A)
CBC  A1401 (-3.3A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
1.09A98.63
Potential target for repurposing, i.e. matched protein structure has less than 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)		4ayz HEME-BINDING PROTEIN
2
(Homo
sapiens)		5 / 10TYR A 179
THR A  90
THR A  86
ALA A  87
TYR A  43
None
1.20A20.51
Potential target for repurposing, i.e. matched protein structure has less than 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)		5gqq HEME-BINDING PROTEIN
2
(Homo
sapiens)		5 / 10TYR A 179
THR A  90
THR A  86
ALA A  87
TYR A  43
None
1.22A19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		6 / 10TYR A 141
ARG A 143
MET A 241
GLY A 312
THR A 313
ALA A 314
ILP  A 400 (-4.5A)
None
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
0.42A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		6 / 10TYR A 141
ARG A 143
THR A 240
MET A 241
GLY A 312
THR A 313
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
0.77A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		7 / 10TYR A 159
ARG A 161
THR A 258
MET A 259
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.8A)
CBC  A1401 (-3.3A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.43A98.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		5 / 10TYR A 159
TYR A 191
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.3A)
CBC  A1401 (-4.1A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.96A98.63
Potential target for repurposing, i.e. matched protein structure has less than 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_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		3b3l KETOHEXOKINASE
(Homo
sapiens)		5 / 10VAL A 250
THR A 253
GLY A 257
THR A 259
ALA A 285
None
1.49A20.74
Potential target for repurposing, i.e. matched protein structure has less than 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_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		4ayz HEME-BINDING PROTEIN
2
(Homo
sapiens)		5 / 10TYR A  43
TYR A 179
THR A  90
THR A  86
ALA A  87
None
1.24A20.51
Potential target for repurposing, i.e. matched protein structure has less than 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_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		4mh0 RAS-RELATED PROTEIN
RAP-1B
(Homo
sapiens)		5 / 10TYR R  32
VAL R  21
GLY R  60
THR R  61
ALA R  59
None
None
None
None
SO4  R 201 (-3.3A)
1.31A16.49
Potential target for repurposing, i.e. matched protein structure has less than 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_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		4z4m GREEN FLUORESCENT
PROTEIN,TAX1-BINDING
PROTEIN 1
(Aequorea
victoria;
Homo
sapiens)		5 / 10VAL A 150
TYR A  74
THR A 203
GLY A  40
ALA A  72
CR2  A  66 ( 4.9A)
None
CR2  A  66 ( 3.6A)
None
None
1.49A21.48
Potential target for repurposing, i.e. matched protein structure has less than 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_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		5gqq HEME-BINDING PROTEIN
2
(Homo
sapiens)		5 / 10TYR A  43
TYR A 179
THR A  90
THR A  86
ALA A  87
None
1.25A19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		7 / 11PHE A  75
TYR A 141
ARG A 143
MET A 241
GLY A 312
THR A 313
ALA A 314
None
ILP  A 400 (-4.5A)
None
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
0.42A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		7 / 11PHE A  75
TYR A 141
ARG A 143
THR A 240
MET A 241
GLY A 312
THR A 313
None
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
0.74A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		8 / 11PHE A  93
TYR A 159
ARG A 161
THR A 258
MET A 259
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.6A)
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.8A)
CBC  A1401 (-3.3A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.43A98.63
Potential target for repurposing, i.e. matched protein structure has less than 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)		3p8c NCK-ASSOCIATED
PROTEIN 1
(Homo
sapiens)		5 / 11PHE B 687
TYR B 411
THR B 355
ALA B 354
TYR B 691
None
1.38A16.52
Potential target for repurposing, i.e. matched protein structure has less than 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)		4ayz HEME-BINDING PROTEIN
2
(Homo
sapiens)		5 / 11TYR A 179
THR A  90
THR A  86
ALA A  87
TYR A  43
None
1.20A20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		6 / 9TYR A 141
ARG A 143
MET A 241
GLY A 312
THR A 313
ALA A 314
ILP  A 400 (-4.5A)
None
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
0.47A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 9TYR A 141
ARG A 143
THR A 240
MET A 241
GLY A 312
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
None
ILP  A 400 (-3.5A)
0.82A55.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		7 / 9TYR A 159
ARG A 161
THR A 258
MET A 259
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.8A)
CBC  A1401 (-3.3A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.50A98.63
Potential target for repurposing, i.e. matched protein structure has less than 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)		3ol2 SEMAPHORIN-4D
(Homo
sapiens)		5 / 9VAL A 513
TYR A 436
GLY A 433
THR A 434
ALA A 430
None
1.40A21.26
Potential target for repurposing, i.e. matched protein structure has less than 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)		4mh0 RAS-RELATED PROTEIN
RAP-1B
(Homo
sapiens)		5 / 9TYR R  32
VAL R  21
GLY R  60
THR R  61
ALA R  59
None
None
None
None
SO4  R 201 (-3.3A)
1.39A16.49
Potential target for repurposing, i.e. matched protein structure has less than 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)		1kq0 METHIONINE
AMINOPEPTIDASE 2
(Homo
sapiens)		4 / 8GLY A 301
GLY A 287
THR A 284
ALA A 283
None
0.57A21.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 8TYR A 141
ARG A 143
GLY A 312
THR A 313
ALA A 314
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
0.50A27.85
Potential target for repurposing, i.e. matched protein structure has less than 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)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		5 / 8TYR A 159
ARG A 161
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.33A28.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		2adu METHIONINE
AMINOPEPTIDASE 2
(Homo
sapiens)		4 / 8GLY A 301
GLY A 287
THR A 284
ALA A 283
None
0.55A23.72
Potential target for repurposing, i.e. matched protein structure has less than 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)		2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
(Homo
sapiens)		4 / 8GLY A 495
THR A 512
ALA A 513
ALA A 514
None
0.52A24.14
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens)		4 / 8GLY A 152
GLY A  68
THR A  65
ALA A  64
None
0.58A21.46
Potential target for repurposing, i.e. matched protein structure has less than 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)		4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8GLY A 140
THR A 141
ALA A 142
ALA A 143
FAD  A1449 (-3.4A)
FAD  A1449 (-4.2A)
FAD  A1449 (-3.3A)
None
0.45A23.52
Potential target for repurposing, i.e. matched protein structure has less than 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)		4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8GLY A 261
GLY A 140
THR A 141
ALA A 142
FAD  A1449 (-3.4A)
FAD  A1449 (-3.4A)
FAD  A1449 (-4.2A)
FAD  A1449 (-3.3A)
0.59A23.52
Potential target for repurposing, i.e. matched protein structure has less than 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)		5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214
(Escherichia
coli;
Homo
sapiens)		4 / 8GLY D2015
THR D2016
ALA D2017
ALA D2018
None
0.59A21.88
Potential target for repurposing, i.e. matched protein structure has less than 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)		5uos METHYLMALONIC
ACIDURIA AND
HOMOCYSTINURIA TYPE
C PROTEIN
(Homo
sapiens)		4 / 8TYR A  31
THR A 119
ALA A 120
ALA A 121
None
B12  A 301 ( 2.7A)
None
None
0.56A22.94
Potential target for repurposing, i.e. matched protein structure has less than 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)		1efv ELECTRON TRANSFER
FLAVOPROTEIN
(Homo
sapiens)		5 / 10TYR A 235
GLY A 228
GLY A 255
ALA A 251
ALA A 254
None
1.16A23.26
Potential target for repurposing, i.e. matched protein structure has less than 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)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		7 / 10PHE A  75
TYR A 141
ARG A 143
TYR A 207
GLY A 312
THR A 313
ALA A 314
None
ILP  A 400 (-4.5A)
None
ILP  A 400 (-4.5A)
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
0.42A27.85
Potential target for repurposing, i.e. matched protein structure has less than 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)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		7 / 10PHE A  93
TYR A 159
ARG A 161
TYR A 225
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.6A)
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
PLP  A 420 (-4.4A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.29A28.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		2i6b ADENOSINE KINASE
(Homo
sapiens)		5 / 10PHE A  86
GLY A 121
THR A 120
ALA A 140
ALA A 139
None
1.11A21.92
Potential target for repurposing, i.e. matched protein structure has less than 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)		2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2
(Homo
sapiens)		5 / 10GLU A 160
GLY A 125
THR A 128
ALA A 129
ALA A 126
None
1.10A20.04
Potential target for repurposing, i.e. matched protein structure has less than 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)		2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens)		5 / 10PHE A 411
GLY A 434
THR A 435
ALA A 438
ALA A 451
None
FAD  A 600 (-3.1A)
FAD  A 600 (-3.4A)
None
None
1.06A21.71
Potential target for repurposing, i.e. matched protein structure has less than 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)		3h1v GLUCOKINASE
(Homo
sapiens)		5 / 10ARG X 191
GLY X 117
THR X 118
ALA X 119
ALA X 173
None
1.15A23.19
Potential target for repurposing, i.e. matched protein structure has less than 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)		3hd6 AMMONIUM TRANSPORTER
RH TYPE C
(Homo
sapiens)		5 / 10GLY A 290
GLY A 294
THR A 295
ALA A 296
ALA A 297
None
1.09A21.12
Potential target for repurposing, i.e. matched protein structure has less than 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)		5cmn LATROPHILIN-3
(Homo
sapiens)		5 / 10TYR E 363
GLY E 208
GLY E 156
ALA E 365
ALA E 366
None
1.04A22.29
Potential target for repurposing, i.e. matched protein structure has less than 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)		1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
(Homo
sapiens)		4 / 8GLY A 458
THR A 475
ALA A 476
ALA A 477
None
0.56A24.43
Potential target for repurposing, i.e. matched protein structure has less than 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)		1kq0 METHIONINE
AMINOPEPTIDASE 2
(Homo
sapiens)		4 / 8GLY A 301
GLY A 287
THR A 284
ALA A 283
None
0.54A21.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 8TYR A 141
ARG A 143
GLY A 312
THR A 313
ALA A 314
ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
0.52A27.85
Potential target for repurposing, i.e. matched protein structure has less than 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)		1lm7 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)
(Homo
sapiens)		5 / 8GLU A2333
GLY A2299
THR A2298
ALA A2297
ALA A2296
None
1.31A20.38
Potential target for repurposing, i.e. matched protein structure has less than 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)		1n76 LACTOFERRIN
(Homo
sapiens)		5 / 8TYR A 435
GLY A 527
GLY A 468
THR A 466
ALA A 467
 FE  A 694 ( 4.1A)
None
CO3  A 696 (-4.2A)
CO3  A 696 ( 4.7A)
CO3  A 696 (-3.4A)
1.34A18.79
Potential target for repurposing, i.e. matched protein structure has less than 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)		1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens)		5 / 8TYR E 425
GLY E 513
GLY E 458
THR E 456
ALA E 457
 FE  E 703 ( 4.1A)
None
CO3  E 701 (-4.0A)
CO3  E 701 (-4.2A)
CO3  E 701 (-3.5A)
1.27A20.33
Potential target for repurposing, i.e. matched protein structure has less than 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)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		5 / 8TYR A 159
ARG A 161
GLY A 330
THR A 331
ALA A 332
CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
0.33A28.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		2adu METHIONINE
AMINOPEPTIDASE 2
(Homo
sapiens)		4 / 8GLY A 301
GLY A 287
THR A 284
ALA A 283
None
0.52A23.72
Potential target for repurposing, i.e. matched protein structure has less than 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)		2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
(Homo
sapiens)		4 / 8GLY A 495
THR A 512
ALA A 513
ALA A 514
None
0.50A24.14
Potential target for repurposing, i.e. matched protein structure has less than 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)		2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)
(Homo
sapiens)		5 / 8ARG A 267
GLY A 369
GLY A 460
ALA A 462
ALA A 463
GSH  A 503 (-3.7A)
SO4  A 505 ( 3.3A)
GSH  A 503 (-3.6A)
GSH  A 503 (-3.5A)
None
1.47A21.15
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens)		4 / 8GLY A 152
GLY A  68
THR A  65
ALA A  64
None
0.54A21.46
Potential target for repurposing, i.e. matched protein structure has less than 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)		2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)		5 / 8GLY A 391
GLY A 235
THR A 236
ALA A 280
ALA A 281
None
1.38A22.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2
(Homo
sapiens)		5 / 8GLU A 160
GLY A 125
THR A 128
ALA A 129
ALA A 126
None
1.12A20.04
Potential target for repurposing, i.e. matched protein structure has less than 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)		2vcy TRANS-2-ENOYL-COA
REDUCTASE
(Homo
sapiens)		5 / 8GLY A 165
GLU A 107
GLY A 108
ALA A 161
ALA A 162
None
1.47A23.06
Potential target for repurposing, i.e. matched protein structure has less than 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)		2y05 PROSTAGLANDIN
REDUCTASE 1
(Homo
sapiens)		5 / 8TYR A 181
GLY A 159
GLY A 155
ALA A 151
ALA A 150
None
1.38A23.16