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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		1q9c SON OF SEVENLESS
PROTEIN
(Homo
sapiens)		5 / 10VAL A  30
TYR A  47
VAL A  48
ILE A 137
LEU A 142
None
1.03A14.51
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		1sy6 T-CELL SURFACE
GLYCOPROTEIN CD3
GAMMA/EPSILON CHAIN
(Homo
sapiens)		5 / 10PHE A 172
VAL A 130
VAL A 123
ASN A 147
LEU A 197
None
1.24A14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		1xiw T-CELL SURFACE
GLYCOPROTEIN CD3
EPSILON CHAIN
(Homo
sapiens)		5 / 10PHE A  66
VAL A  24
VAL A  17
ASN A  41
LEU A  91
None
1.23A11.43
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		2bec CALCINEURIN B
HOMOLOGOUS PROTEIN 2
(Homo
sapiens)		5 / 10ARG A  30
VAL A  78
VAL A  86
ILE A 194
LEU A  31
None
1.13A15.94
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		2p28 INTEGRIN BETA-2
(Homo
sapiens)		5 / 10PHE A  93
VAL B 391
VAL B 417
VAL B 419
LEU B 356
None
1.21A10.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		2qgx UBIQUITIN-CONJUGATIN
G ENZYME E2 Q1
(Homo
sapiens)		5 / 10PHE A  72
VAL A 122
VAL A  85
VAL A  87
LEU A 130
None
0.96A14.46
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		3agx DNAJ HOMOLOG
SUBFAMILY B MEMBER 1
(Homo
sapiens)		5 / 10PHE A 285
VAL A 283
VAL A 273
ILE A 246
LEU A 314
None
1.03A14.78
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		3ksy SON OF SEVENLESS
HOMOLOG 1
(Homo
sapiens)		5 / 10VAL A  30
TYR A  47
VAL A  48
ILE A 137
LEU A 142
None
1.05A18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		3mi9 CELL DIVISION
PROTEIN KINASE 9
(Homo
sapiens)		5 / 10VAL A  79
PHE A  59
VAL A  50
ILE A  82
LEU A  70
None
1.21A20.17
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A
(Homo
sapiens)		5 / 10PHE A 153
VAL A 215
VAL A 150
ILE A 143
LEU A  61
None
0.89A22.76
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		4nen INTEGRIN BETA-2
(Homo
sapiens)		5 / 10PHE B  93
VAL B 391
VAL B 417
VAL B 419
LEU B 356
None
1.23A22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens)		5 / 10VAL A  64
PHE A  45
VAL A   8
VAL A   6
LEU A  67
None
1.26A22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		4piv FATTY ACID SYNTHASE
(Homo
sapiens)		5 / 10ARG A1468
VAL A1453
ASN A1234
ILE A1413
LEU A1469
None
1.12A22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		4qam X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR-INTERACTIN
G PROTEIN 1
(Homo
sapiens)		5 / 10VAL B1265
VAL B1133
VAL B1142
VAL B1144
LEU B1263
None
1.27A16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		5e6v INTEGRIN BETA-2
(Homo
sapiens)		5 / 10PHE A  93
VAL A 391
VAL A 417
VAL A 419
LEU A 356
None
1.20A15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		5e6w INTEGRIN BETA-2
(Homo
sapiens)		5 / 10PHE A  93
VAL A 391
VAL A 417
VAL A 419
LEU A 356
None
1.23A20.86
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		5hjb PROTEIN AF-9
(Homo
sapiens)		5 / 10VAL A   9
PHE A  53
VAL A  34
VAL A  87
LEU A  11
None
1.05A11.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		5ikr PROSTAGLANDIN G/H
SYNTHASE 2
(Homo
sapiens)		9 / 10VAL A 116
ARG A 120
PHE A 205
VAL A 228
VAL A 344
TYR A 348
VAL A 349
ASN A 375
LEU A 531
None
ID8  A 601 ( 4.4A)
None
None
None
None
ID8  A 601 (-3.9A)
None
ID8  A 601 (-3.5A)
0.40A63.88
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		5n38 E3 UBIQUITIN-PROTEIN
LIGASE PARKIN,E3
UBIQUITIN-PROTEIN
LIGASE PARKIN
(Homo
sapiens)		5 / 10VAL A  56
VAL A  36
VAL A   5
ILE A   2
LEU A  26
None
1.14A18.74
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		5y8v YEATS
DOMAIN-CONTAINING
PROTEIN 4
(Homo
sapiens)		5 / 10VAL B 112
VAL B  49
TYR B  50
VAL B  51
LEU B 114
None
1.25A10.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		6b4j NUCLEOPORIN GLE1
(Homo
sapiens)		5 / 10VAL B 464
PHE B 484
VAL B 505
VAL B 430
LEU B 451
None
1.11A9.85
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		6glc E3 UBIQUITIN-PROTEIN
LIGASE PARKIN
(Homo
sapiens)		5 / 10VAL A  56
VAL A  36
VAL A   5
ILE A   2
LEU A  26
None
None
None
GOL  A 507 ( 4.9A)
None
1.09A11.54
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens)		5 / 12LEU A 185
PHE A 134
GLY A 287
GLY A 216
LEU A 219
 CL  A 701 (-4.3A)
None
None
None
None
0.99A20.63
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		1qgp PROTEIN (DOUBLE
STRANDED RNA
ADENOSINE DEAMINASE)
(Homo
sapiens)		5 / 12LEU A 185
TYR A 177
ALA A 158
GLY A 163
LEU A 165
None
1.11A10.60
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA
(Homo
sapiens)		6 / 12LEU A 126
TYR A 189
GLY A  54
ALA A  56
SER A  58
LEU A  62
None
1.10A21.75
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		2y05 PROSTAGLANDIN
REDUCTASE 1
(Homo
sapiens)		5 / 12TYR A 181
GLY A 152
ALA A 153
SER A 156
GLY A 159
None
NAP  A 701 (-3.1A)
NAP  A 701 (-3.3A)
None
None
0.98A20.15
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		3llk SULFHYDRYL OXIDASE 1
(Homo
sapiens)		5 / 12PHE A 403
LEU A 330
PHE A 371
GLY A 317
GLY A 448
None
1.13A17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		3su8 PLEXIN-B1
(Homo
sapiens)		5 / 12LEU X1640
PHE X1577
GLY X2083
ALA X2084
LEU X1603
None
0.82A22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		4mh0 RAS-RELATED PROTEIN
RAP-1B
(Homo
sapiens)		5 / 12TYR R  40
GLY R  60
ALA R  59
GLY R  10
LEU R   9
None
None
SO4  R 201 (-3.3A)
None
None
1.01A16.11
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		4roe TRANSCRIPTION FACTOR
IIIB 50 KDA SUBUNIT
(Homo
sapiens)		5 / 12LEU A 123
PHE A 149
GLY A 136
ALA A 137
LEU A 172
None
1.08A21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		5b2g ENDOLYSIN,CLAUDIN-4
(Escherichia
virus
T4;
Homo
sapiens)		5 / 12GLY A1330
ALA A1332
SER A1334
GLY A1292
LEU A1338
None
1.12A21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		5ikr PROSTAGLANDIN G/H
SYNTHASE 2
(Homo
sapiens)		9 / 12PHE A 209
LEU A 352
PHE A 381
TYR A 385
TRP A 387
PHE A 518
GLY A 526
GLY A 533
LEU A 534
None
ID8  A 601 (-4.1A)
None
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
None
ID8  A 601 (-3.5A)
None
None
0.93A63.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		5ikr PROSTAGLANDIN G/H
SYNTHASE 2
(Homo
sapiens)		11 / 12PHE A 209
LEU A 352
TYR A 355
PHE A 381
TYR A 385
TRP A 387
GLY A 526
ALA A 527
SER A 530
GLY A 533
LEU A 534
None
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
None
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
None
None
0.76A63.88