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.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		1uj2 URIDINE-CYTIDINE
KINASE 2
(Homo
sapiens)		5 / 12ALA A 139
SER A  34
GLU A 135
ARG A 174
ASP A  84
None
MG  A2303 ( 2.3A)
MG  A2303 ( 4.6A)
C5P  A2301 (-3.9A)
C5P  A2301 (-2.8A)
1.12A17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		2f37 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 2
(Homo
sapiens)		5 / 12TYR A 207
ASP A 242
SER A 243
GLN A 244
GLU A 210
None
1.38A18.58
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.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR
(Homo
sapiens)		5 / 12ALA A2101
TYR A2102
ASP A2118
GLN A2114
GLU A2105
None
1.15A9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY4_A_SNPA437_2
(EXOGLUCANASE 1)		2g5t DIPEPTIDYL PEPTIDASE
4
(Homo
sapiens)		4 / 5HIS A 748
TRP A 627
ALA A 654
TRP A 629
None
1.44A20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		1h4w TRYPSIN IVA
(Homo
sapiens)		4 / 7ILE A 106
ILE A  47
THR A 241
ILE A 242
None
0.79A20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		1ko6 NUCLEAR PORE COMPLEX
PROTEIN NUP98
(Homo
sapiens)		4 / 7ILE A 774
THR A 726
ILE A 750
LEU A 769
None
0.79A20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		2ewy BETA-SECRETASE 2
(Homo
sapiens)		4 / 7ILE A  45
ILE A  64
THR A 117
ILE A 118
None
0.71A21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		2hzr APOLIPOPROTEIN D
(Homo
sapiens)		4 / 7ILE A 128
ILE A  32
THR A 148
ILE A 152
None
0.78A22.58
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.
5FUK_A_SNPA1236_1
(MROUPO)		2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA
(Homo
sapiens)		4 / 7ILE A 194
ILE A 360
ILE A 158
LEU A 175
None
PHD  A 359 ( 4.1A)
None
None
0.59A19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		3d3m EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens)		4 / 7ILE A 750
ILE A 758
SER A 775
PHE A 776
None
0.75A20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		3d3m EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens)		4 / 7ILE A 758
ILE A 771
SER A 775
PHE A 776
None
0.62A20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		3e73 LANC-LIKE PROTEIN 1
(Homo
sapiens)		4 / 7ILE A 104
ILE A 159
THR A 185
ILE A 186
None
0.79A19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens)		4 / 7ILE A 221
ILE A 234
SER A 238
PHE A 239
None
0.67A19.52
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.
5FUK_A_SNPA1236_1
(MROUPO)		3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens)		4 / 7ILE A  58
THR A  77
ILE A  78
LEU A  71
None
0.73A18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		4c9b PRE-MRNA-SPLICING
FACTOR CWC22 HOMOLOG
(Homo
sapiens)		4 / 7ILE B 405
ILE B 190
SER B 224
LEU B 185
None
0.75A20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens)		4 / 7ILE A 247
ILE A 227
ILE A 318
PHE A 280
None
0.57A21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		4wwy TRYPSIN-1
(Homo
sapiens)		4 / 7ILE A 106
ILE A  47
THR A 241
ILE A 242
None
0.79A21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		5h1k GEM-ASSOCIATED
PROTEIN 5
(Homo
sapiens)		4 / 7ILE A 550
ILE A 584
THR A 573
ILE A 574
None
0.72A15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		5jk7 URACIL-DNA
GLYCOSYLASE
(Homo
sapiens)		4 / 7ILE D 141
ILE D 173
SER D 169
LEU D 202
None
0.71A19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		5ljm SPERMATOGENESIS-ASSO
CIATED PROTEIN 2
(Homo
sapiens)		4 / 7ILE A 134
THR A 125
SER A  73
LEU A  92
None
GOL  A 302 ( 4.9A)
None
None
0.76A17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		5tey N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14
(Homo
sapiens)		4 / 7ILE A 456
ILE B 315
THR A 460
ILE A 466
None
0.65A17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		1uj2 URIDINE-CYTIDINE
KINASE 2
(Homo
sapiens)		4 / 7GLY A 211
SER A  31
GLY A  32
VAL A  36
None
ADP  A2302 (-3.2A)
ADP  A2302 (-3.3A)
None
0.77A16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		2jfe CYTOSOLIC
BETA-GLUCOSIDASE
(Homo
sapiens)		4 / 7ASP X  62
GLY X  20
SER X  55
GLY X  54
None
0.80A10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		2p8e PPM1B BETA ISOFORM
VARIANT 6
(Homo
sapiens)		4 / 7ASP A 128
GLY A  61
SER A 130
GLY A 131
None
0.85A15.38
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		2v3s SERINE/THREONINE-PRO
TEIN KINASE OSR1
(Homo
sapiens)		4 / 7ASP A 478
GLY A 509
SER A 505
GLY A 506
None
0.83A23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		3h1v GLUCOKINASE
(Homo
sapiens)		4 / 7ASP X 205
GLY X 295
GLY X 227
VAL X 412
GLC  X 500 (-2.9A)
None
None
None
0.97A10.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		5iql YEATS
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens)		4 / 7ASP A 228
GLY A 283
SER A 230
GLY A 281
None
0.88A20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		5x68 KYNURENINE
3-MONOOXYGENASE
(Homo
sapiens)		4 / 7GLN A 315
GLY A 303
GLY A 320
VAL A  19
FAD  A 401 (-4.3A)
FAD  A 401 (-3.4A)
None
FAD  A 401 (-3.5A)
0.93A17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		6ckc METHYLOSOME PROTEIN
50
(Homo
sapiens)		4 / 7ASP B 180
SER B 136
GLY B 137
VAL B  89
None
0.62A20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		6en4 SPLICING FACTOR 3B
SUBUNIT 1
(Homo
sapiens)		4 / 7ASP C 953
SER C 992
GLY C 991
VAL C1031
None
0.95A22.58
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.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens)		4 / 5PHE A 140
VAL A 203
MET A  57
VAL A  65
None
NAD  A1377 (-3.7A)
None
None
1.27A11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		1gz4 NAD-DEPENDENT MALIC
ENZYME
(Homo
sapiens)		4 / 5PHE A 254
VAL A 478
MET A 239
VAL A 160
None
0.92A10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		1iap GUANINE NUCLEOTIDE
EXCHANGE FACTOR
P115RHOGEF
(Homo
sapiens)		4 / 5PHE A  46
VAL A 179
PRO A  56
VAL A  52
None
1.25A18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		2aw5 NADP-DEPENDENT MALIC
ENZYME
(Homo
sapiens)		4 / 5PHE A 244
VAL A 465
MET A 229
VAL A 150
None
0.86A10.02
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.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		2cr4 SH3 DOMAIN-BINDING
PROTEIN 2
(Homo
sapiens)		4 / 5PHE A  90
VAL A  59
PRO A 106
VAL A  88
None
1.24A21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		2qfz TBC1 DOMAIN FAMILY
MEMBER 22A
(Homo
sapiens)		4 / 5PHE A 302
PRO A 285
MET A 287
VAL A 298
None
1.19A14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		2r1v DJ-1
(Homo
sapiens)		4 / 5VAL A 146
PRO A  22
MET A  26
VAL A   8
None
1.29A18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5PHE A 149
PRO A 120
MET A 114
VAL A 124
None
1.23A12.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		3lxx GTPASE IMAP FAMILY
MEMBER 4
(Homo
sapiens)		4 / 5PHE A 153
VAL A 212
MET A 179
VAL A 121
None
0.99A19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		4 / 5PHE A 296
VAL A 229
PRO A 248
VAL A 292
None
1.33A10.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		4e1o HISTIDINE
DECARBOXYLASE
(Homo
sapiens)		4 / 5PHE A 448
VAL A  70
PRO A  75
VAL A 450
None
1.35A11.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		4fmf POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 1
(Homo
sapiens)		4 / 5PHE A 126
VAL A  48
PRO A 102
VAL A  65
None
1.35A17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1
(Homo
sapiens)		4 / 5PHE A 459
VAL A 381
MET A 449
VAL A 442
None
1.43A11.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		4u4p STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4
(Homo
sapiens)		4 / 5PHE B 708
VAL B 717
MET B 763
VAL B 699
None
1.32A16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1
(Homo
sapiens)		4 / 5PHE A 268
VAL A 335
PRO A 312
VAL A 272
None
1.35A8.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		5np4 TRANSCOBALAMIN-2
(Homo
sapiens)		4 / 5PHE A 376
VAL A 337
PRO A 386
VAL A 407
CNC  A 502 ( 4.2A)
None
None
None
1.42A20.00