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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4
(Homo
sapiens)		7 / 12TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
MET A 120
ASN A 167
None
None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
None
NAP  A1001 (-3.1A)
0.54A84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4
(Homo
sapiens)		5 / 12TYR A  24
LEU A  54
TYR A  55
TRP A  86
PHE A 310
None
None
NAP  A1001 (-4.7A)
None
None
0.96A84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens)		5 / 12TYR A  55
TRP A  86
HIS A 117
ASN A 167
TYR A 216
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
0.18A86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		2is7 ALDOSE REDUCTASE
(Homo
sapiens)		5 / 12TYR A  48
TRP A  79
HIS A 110
ASN A 160
TYR A 209
2CL  A 317 ( 4.5A)
None
2CL  A 317 ( 3.8A)
NAP  A 316 (-3.4A)
NAP  A 316 (-3.2A)
0.29A48.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens)		6 / 12TYR A  26
TYR A  58
TRP A  89
MET A 123
ASN A 170
TYR A 219
CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
0.58A55.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10
(Homo
sapiens)		5 / 12TYR X  49
TRP X  80
HIS X 111
ASN X 161
TYR X 210
DQP  X 402 ( 4.0A)
None
DQP  X 402 ( 4.1A)
NAP  X 401 (-3.2A)
NAP  X 401 ( 3.1A)
0.31A46.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3
(Homo
sapiens)		5 / 12TYR A  24
LEU A  54
TYR A  55
HIS A 117
SER A  87
CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
CJ2  A 402 ( 3.8A)
None
1.47A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3
(Homo
sapiens)		8 / 12TYR A  24
LEU A  54
TYR A  55
HIS A 117
SER A 118
ASN A 167
TRP A 227
PHE A 306
CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 3.3A)
CJ2  A 402 ( 4.8A)
CJ2  A 402 (-3.8A)
1.04A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3
(Homo
sapiens)		9 / 12TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
SER A 118
ASN A 167
TYR A 216
TRP A 227
CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 3.3A)
NAP  A 401 ( 3.2A)
CJ2  A 402 ( 4.8A)
0.48A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3
(Homo
sapiens)		9 / 12TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
SER A 118
MET A 120
ASN A 167
TYR A 216
CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 3.3A)
NAP  A 401 ( 3.2A)
0.27A100.00
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.
4N6P_A_JMSA713_1
(LACTOTRANSFERRIN)		3c4f BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1
(Homo
sapiens)		4 / 4HIS A 738
ALA A 739
VAL A 740
GLU A 670
None
1.37A22.59
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.
4N6P_A_JMSA713_1
(LACTOTRANSFERRIN)		3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1
(Homo
sapiens)		4 / 4HIS A 738
ALA A 739
VAL A 740
GLU A 670
None
1.35A20.85
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE
(Homo
sapiens)		4 / 8PRO A 187
VAL A 225
SER A 222
HIS A 221
EST  A 350 (-4.1A)
EST  A 350 (-4.7A)
None
None
1.05A21.41
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		1ozn RETICULON 4 RECEPTOR
(Homo
sapiens)		4 / 8LEU A 255
THR A 230
ARG A 206
HIS A 210
None
1.12A21.62
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2eo3 CRK-LIKE PROTEIN
(Homo
sapiens)		4 / 8LEU A 105
VAL A  65
SER A  66
HIS A  67
None
0.98A13.19
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2lqn CRK-LIKE PROTEIN
(Homo
sapiens)		4 / 8LEU A  98
VAL A  58
SER A  59
HIS A  60
None
0.98A20.62
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2n8y ALPHA-ACTININ-1
(Homo
sapiens)		4 / 8LEU A 877
THR A 844
VAL A 873
SER A 872
None
1.12A15.03
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		2v8e COMPLEMENT FACTOR H
(Homo
sapiens)		4 / 8THR A 363
PRO A 364
SER A 380
HIS A 373
None
1.22A16.31
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		3aih PROTEIN OS-9
(Homo
sapiens)		4 / 8THR A 224
PRO A 225
LEU A 111
SER A 203
None
1.07A13.03
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		3fg7 VILLIN-1
(Homo
sapiens)		4 / 8THR A 693
PRO A 694
ARG A 689
VAL A 658
None
1.19A21.44
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		3hng VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1
(Homo
sapiens)		4 / 8LEU A1063
LEU A1113
VAL A1087
SER A1084
None
1.13A23.33
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens)		4 / 8THR A1279
ARG A1563
VAL A1292
SER A1290
None
1.08A22.93
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens)		4 / 8LEU A1069
LEU A1119
VAL A1093
SER A1090
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		4agd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2
(Homo
sapiens)		4 / 8LEU A1069
LEU A1119
VAL A1093
SER A1090
None
1.09A20.29
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2
(Homo
sapiens)		4 / 8LEU A  89
PRO A  53
ARG A 219
LEU A 166
None
1.14A21.41
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		4nen INTEGRIN ALPHA-X
(Homo
sapiens)		4 / 8LEU A 941
THR A 907
VAL A 909
SER A 910
None
1.02A19.14
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11
(Homo
sapiens)		4 / 8THR A 230
PRO A 231
VAL A 222
SER A 221
None
0.54A18.97
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5ek0 CHIMERA OF BACTERIAL
ION TRANSPORT
PROTEIN AND HUMAN
SODIUM CHANNEL
PROTEIN TYPE 9
SUBUNIT ALPHA
(Arcobacter
butzleri;
Homo
sapiens)		4 / 8LEU A1612
THR A1614
LEU A1610
VAL A1623
None
0.93A19.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO
(Homo
sapiens)		6 / 8LEU A  90
THR A  92
PRO A  93
ARG A  96
LEU A 109
HIS A 231
FIJ  A 602 (-3.9A)
FIJ  A 602 (-3.7A)
FIJ  A 602 (-4.5A)
AKG  A 603 (-3.4A)
FIJ  A 602 (-4.7A)
FIJ  A 602 (-4.0A)
0.72A99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO
(Homo
sapiens)		7 / 8LEU A  90
THR A  92
PRO A  93
LEU A 109
VAL A 228
SER A 229
HIS A 231
FIJ  A 602 (-3.9A)
FIJ  A 602 (-3.7A)
FIJ  A 602 (-4.5A)
FIJ  A 602 (-4.7A)
AKG  A 603 ( 4.7A)
FIJ  A 602 (-2.9A)
FIJ  A 602 (-4.0A)
0.71A99.58
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5wrj PROTEIN-TYROSINE
SULFOTRANSFERASE 1
(Homo
sapiens)		4 / 8LEU A 173
PRO A 175
LEU A 143
HIS A  66
None
1.14A20.83
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		5xeq NEUROLIGIN-2
(Homo
sapiens)		4 / 8PRO A 364
LEU A 235
VAL A 300
SER A 299
None
1.22A22.29
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		6cno INTERMEDIATE
CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 4
(Homo
sapiens)		4 / 8LEU A 154
PRO A 119
ARG A 159
LEU A 157
None
1.00A10.94
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1h4l CELL DIVISION
PROTEIN KINASE 5
(Homo
sapiens)		5 / 12LEU A 267
GLY A 189
ALA A 188
SER A 187
LEU A 127
None
0.94A20.19
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1jy1 TYROSYL-DNA
PHOSPHODIESTERASE
(Homo
sapiens)		5 / 12VAL A 227
TYR A 537
ALA A 332
SER A 334
LEU A 335
None
1.01A21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1l1f GLUTAMATE
DEHYDROGENASE 1
(Homo
sapiens)		5 / 12VAL A 121
LEU A 457
VAL A 382
GLY A 380
ALA A 379
None
1.07A21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens)		5 / 12VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
1.01A21.41
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA
(Homo
sapiens)		5 / 12LEU A 126
TYR A 189
GLY A  54
ALA A  56
SER A  58
None
1.00A22.78
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		3tfy N-ALPHA-ACETYLTRANSF
ERASE 50, NATE
CATALYTIC SUBUNIT
(Homo
sapiens)		5 / 12VAL A  11
TYR A  36
TYR A  50
GLY A  57
ALA A  58
None
0.97A16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		4asi ACETYL-COA
CARBOXYLASE 1
(Homo
sapiens)		5 / 12LEU A1737
GLY A1842
ALA A1841
SER A1844
LEU A1868
None
1.11A20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5fii PHENYLALANINE-4-HYDR
OXYLASE
(Homo
sapiens)		5 / 12VAL A  51
LEU A  54
GLY A 103
ALA A 104
LEU A  41
None
1.12A12.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5ikr PROSTAGLANDIN G/H
SYNTHASE 2
(Homo
sapiens)		12 / 12ARG A 120
VAL A 349
LEU A 352
TYR A 355
LEU A 384
TYR A 385
TRP A 387
VAL A 523
GLY A 526
ALA A 527
SER A 530
LEU A 531
ID8  A 601 ( 4.4A)
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
ID8  A 601 ( 4.8A)
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
0.40A100.00
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5m32 PROTEASOME SUBUNIT
BETA TYPE-2
(Homo
sapiens)		5 / 12LEU J   4
TYR J 117
GLY J 135
ALA J 136
LEU J 140
None
0.94A16.57
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1
(Homo
sapiens)		5 / 12VAL A4309
LEU A4312
TRP A4320
GLY A4152
ALA A4155
None
1.05A7.63
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4
(Homo
sapiens)		5 / 12LEU A 564
LEU A 657
GLY A 591
ALA A 592
LEU A 596
None
1.09A9.41
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		1f45 INTERLEUKIN-12 ALPHA
CHAIN
(Homo
sapiens)		3 / 3VAL B 190
SER B 104
MET B 145
None
0.91A16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		1xkt FATTY ACID SYNTHASE
(Homo
sapiens)		3 / 3VAL A2472
SER A2340
MET A2317
None
0.93A21.55
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)		3 / 3VAL A  52
SER A 117
MET A 187
None
0.91A20.47
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		2ls8 C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER D
(Homo
sapiens)		3 / 3VAL A 116
SER A  59
MET A  39
None
0.86A12.27
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		4d8o ANKYRIN-2
(Homo
sapiens)		3 / 3VAL A1321
SER A1028
MET A1294
None
0.86A21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		4kxb GLUTAMYL
AMINOPEPTIDASE
(Homo
sapiens)		3 / 3VAL A 448
SER A 420
MET A 436
None
0.86A19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA
(Homo
sapiens)		3 / 3VAL A 141
SER A 214
MET A 263
None
0.68A19.57
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens)		3 / 3VAL A 521
SER A 514
MET A 257
None
0.78A22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E
(Homo
sapiens)		3 / 3VAL A 121
SER A 115
MET A 282
None
0.92A17.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		5ikr PROSTAGLANDIN G/H
SYNTHASE 2
(Homo
sapiens)		3 / 3VAL A 116
SER A 353
MET A 522
None
ID8  A 601 ( 4.7A)
ID8  A 601 (-4.2A)
0.27A100.00
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		5oe7 UBIQUITIN
THIOESTERASE OTULIN
(Homo
sapiens)		3 / 3VAL A 304
SER A 308
MET A 108
None
0.86A18.76
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		5of4 GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 2
(Homo
sapiens)		3 / 3VAL E  92
SER E 121
MET E  58
None
0.82A22.18
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens)		3 / 3VAL A 521
SER A 514
MET A 257
None
0.81A23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1h4l CELL DIVISION
PROTEIN KINASE 5
(Homo
sapiens)		5 / 12LEU A 267
GLY A 189
ALA A 188
SER A 187
LEU A 127
None
0.93A20.19
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1jy1 TYROSYL-DNA
PHOSPHODIESTERASE
(Homo
sapiens)		5 / 12VAL A 227
TYR A 537
ALA A 332
SER A 334
LEU A 335
None
1.01A21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1l1f GLUTAMATE
DEHYDROGENASE 1
(Homo
sapiens)		5 / 12VAL A 121
LEU A 457
VAL A 382
GLY A 380
ALA A 379
None
1.05A21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens)		5 / 12VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
0.98A21.41
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA
(Homo
sapiens)		5 / 12LEU A 126
TYR A 189
GLY A  54
ALA A  56
SER A  58
None
1.06A22.78
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		4asi ACETYL-COA
CARBOXYLASE 1
(Homo
sapiens)		5 / 12LEU A1737
GLY A1842
ALA A1841
SER A1844
LEU A1868
None
1.10A20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12LEU A 297
LEU A 234
GLY A 270
ALA A 272
LEU A 280
None
1.07A18.83
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens)		5 / 12VAL A 205
LEU A 215
GLY A 291
ALA A 292
LEU A 311
None
0.99A20.25
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5fii PHENYLALANINE-4-HYDR
OXYLASE
(Homo
sapiens)		5 / 12VAL A  51
LEU A  54
GLY A 103
ALA A 104
LEU A  41
None
1.12A12.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5ikr PROSTAGLANDIN G/H
SYNTHASE 2
(Homo
sapiens)		12 / 12ARG A 120
VAL A 349
LEU A 352
TYR A 355
LEU A 384
TYR A 385
TRP A 387
VAL A 523
GLY A 526
ALA A 527
SER A 530
LEU A 531
ID8  A 601 ( 4.4A)
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
ID8  A 601 ( 4.8A)
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
0.36A100.00
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5m32 PROTEASOME SUBUNIT
BETA TYPE-2
(Homo
sapiens)		5 / 12LEU J   4
TYR J 117
GLY J 135
ALA J 136
LEU J 140
None
0.96A16.57
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1
(Homo
sapiens)		5 / 12VAL A4309
LEU A4312
TRP A4320
GLY A4152
ALA A4155
None
1.03A7.63
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4
(Homo
sapiens)		5 / 12LEU A 564
LEU A 657
GLY A 591
ALA A 592
LEU A 596
None
1.11A9.41