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.
2TOD_A_DMOA700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))
1qmv PEROXIREDOXIN-2
(Homo
sapiens)
4 / 6ASP A 106
PHE A  42
ASP A 114
TYR A 115
None
1.28A18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TOD_B_DMOB700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))
1qmv PEROXIREDOXIN-2
(Homo
sapiens)
4 / 5ASP A 114
TYR A 115
ASP A 106
PHE A  42
None
1.31A18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TOD_B_DMOB700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))
5v07 EXONUCLEASE 1
(Homo
sapiens)
4 / 5ASP Z 225
TYR Z 226
ASP Z 152
PHE Z 177
None
None
MN  Z 401 ( 2.8A)
None
1.44A23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TOD_B_DMOB700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))
6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)
4 / 5ASP A 493
TYR A 497
ASP A 419
PHE A 420
None
1.29A11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TOD_C_DMOC700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))
1qmv PEROXIREDOXIN-2
(Homo
sapiens)
4 / 5ASP A 106
PHE A  42
ASP A 114
TYR A 115
None
1.31A18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TOD_D_DMOD700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))
1qmv PEROXIREDOXIN-2
(Homo
sapiens)
4 / 5ASP A 114
TYR A 115
ASP A 106
PHE A  42
None
1.30A18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GN0_A_DMOA551_1
(ARGINASE-1)
3u78 LYSINE-SPECIFIC
DEMETHYLASE 7
(Homo
sapiens)
5 / 9HIS A 282
ASP A 284
SER A 227
ASP A 392
THR A 279
NI  A 702 ( 3.4A)
NI  A 702 (-2.6A)
None
E67  A 707 (-3.4A)
AKG  A 701 (-3.6A)
1.47A22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GN0_A_DMOA551_1
(ARGINASE-1)
3zyi LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4
(Homo
sapiens)
5 / 9HIS A  97
ASN A 120
HIS A  99
GLY A 121
ASP A  93
None
1.45A21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN0_A_DMOA551_1
(ARGINASE-1)
4hxq ARGINASE-1
(Homo
sapiens)
9 / 9HIS A 126
ASP A 128
ASN A 130
SER A 137
HIS A 141
GLY A 142
ASP A 183
GLU A 186
THR A 246
MN  A 902 ( 3.4A)
MN  A 903 ( 2.6A)
X8A  A 901 (-4.4A)
X8A  A 901 (-2.5A)
X8A  A 901 (-3.4A)
X8A  A 901 ( 3.7A)
X8A  A 901 (-3.0A)
X8A  A 901 ( 4.3A)
X8A  A 901 (-3.5A)
0.21A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN0_A_DMOA551_1
(ARGINASE-1)
4ixu ARGINASE-2,
MITOCHONDRIAL
(Homo
sapiens)
5 / 9HIS A 145
ASN A 149
SER A 155
ASP A 202
GLU A 205
MN  A 402 ( 3.3A)
38I  A 406 (-4.2A)
38I  A 406 ( 3.7A)
38I  A 406 (-3.1A)
38I  A 406 ( 4.0A)
1.25A60.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN0_A_DMOA551_1
(ARGINASE-1)
4ixu ARGINASE-2,
MITOCHONDRIAL
(Homo
sapiens)
9 / 9HIS A 145
ASP A 147
ASN A 149
SER A 156
HIS A 160
GLY A 161
ASP A 202
GLU A 205
THR A 265
MN  A 402 ( 3.3A)
38I  A 406 ( 2.5A)
38I  A 406 (-4.2A)
38I  A 406 (-2.7A)
38I  A 406 (-3.5A)
38I  A 406 ( 3.7A)
38I  A 406 (-3.1A)
38I  A 406 ( 4.0A)
38I  A 406 (-3.7A)
0.27A60.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GN0_B_DMOB552_1
(ARGINASE-1)
3zyi LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4
(Homo
sapiens)
5 / 9HIS A  97
ASN A 120
HIS A  99
GLY A 121
ASP A  93
None
1.50A21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN0_B_DMOB552_1
(ARGINASE-1)
4hxq ARGINASE-1
(Homo
sapiens)
9 / 9HIS A 126
ASP A 128
ASN A 130
SER A 137
HIS A 141
GLY A 142
ASP A 183
GLU A 186
THR A 246
MN  A 902 ( 3.4A)
MN  A 903 ( 2.6A)
X8A  A 901 (-4.4A)
X8A  A 901 (-2.5A)
X8A  A 901 (-3.4A)
X8A  A 901 ( 3.7A)
X8A  A 901 (-3.0A)
X8A  A 901 ( 4.3A)
X8A  A 901 (-3.5A)
0.19A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN0_B_DMOB552_1
(ARGINASE-1)
4ixu ARGINASE-2,
MITOCHONDRIAL
(Homo
sapiens)
5 / 9HIS A 145
ASN A 149
SER A 155
ASP A 202
GLU A 205
MN  A 402 ( 3.3A)
38I  A 406 (-4.2A)
38I  A 406 ( 3.7A)
38I  A 406 (-3.1A)
38I  A 406 ( 4.0A)
1.21A60.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN0_B_DMOB552_1
(ARGINASE-1)
4ixu ARGINASE-2,
MITOCHONDRIAL
(Homo
sapiens)
9 / 9HIS A 145
ASP A 147
ASN A 149
SER A 156
HIS A 160
GLY A 161
ASP A 202
GLU A 205
THR A 265
MN  A 402 ( 3.3A)
38I  A 406 ( 2.5A)
38I  A 406 (-4.2A)
38I  A 406 (-2.7A)
38I  A 406 (-3.5A)
38I  A 406 ( 3.7A)
38I  A 406 (-3.1A)
38I  A 406 ( 4.0A)
38I  A 406 (-3.7A)
0.26A60.58