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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		2vd5 DMPK PROTEIN
(Homo
sapiens)		4 / 6ALA A 376
THR A 375
VAL A 378
VAL A  76
None
0.84A21.08
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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		3es6 PROLACTIN-INDUCIBLE
PROTEIN
(Homo
sapiens)		4 / 6ALA B  29
THR B  69
VAL B  27
TYR B  71
None
0.93A12.59
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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		3w4u HEMOGLOBIN SUBUNIT
ZETA
(Homo
sapiens)		4 / 6THR A  39
TYR A  42
VAL A  96
HIS A  36
HEM  A 201 ( 4.6A)
HEM  A 201 (-4.3A)
None
None
1.03A12.24
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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		4fdd TRANSPORTIN-1
(Homo
sapiens)		4 / 6ALA A 284
VAL A 389
TYR A 390
VAL A 292
None
1.07A22.11
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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		4h1s 5'-NUCLEOTIDASE
(Homo
sapiens)		4 / 6VAL A 469
TYR A 459
VAL A 452
HIS A 456
None
0.90A21.77
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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		4xii CHOLINESTERASE
(Homo
sapiens)		4 / 6ALA A 328
VAL A 331
TYR A 332
HIS A 438
40V  A1001 ( 4.6A)
None
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
1.06A22.26
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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		5ek0 CHIMERA OF BACTERIAL
ION TRANSPORT
PROTEIN AND HUMAN
SODIUM CHANNEL
PROTEIN TYPE 9
SUBUNIT ALPHA
(Homo
sapiens;
Arcobacter
butzleri)		4 / 6ALA A1615
THR A1614
VAL A1613
VAL A1574
None
1.06A17.04
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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		5te1 ATP-CITRATE SYNTHASE
(Homo
sapiens)		4 / 6ALA A 413
THR A 412
TYR A 288
HIS A 410
None
0.76A21.13
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		2vd5 DMPK PROTEIN
(Homo
sapiens)		4 / 6ALA A 376
THR A 375
VAL A 378
VAL A  76
None
0.90A21.08
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		3es6 PROLACTIN-INDUCIBLE
PROTEIN
(Homo
sapiens)		4 / 6ALA B  29
THR B  69
VAL B  27
TYR B  71
None
0.92A12.59
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		3w4u HEMOGLOBIN SUBUNIT
ZETA
(Homo
sapiens)		4 / 6THR A  39
TYR A  42
VAL A  96
HIS A  36
HEM  A 201 ( 4.6A)
HEM  A 201 (-4.3A)
None
None
0.99A12.24
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		4fdd TRANSPORTIN-1
(Homo
sapiens)		4 / 6ALA A 284
VAL A 389
TYR A 390
VAL A 292
None
1.07A22.11
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		4h1s 5'-NUCLEOTIDASE
(Homo
sapiens)		4 / 6VAL A 469
TYR A 459
VAL A 452
HIS A 456
None
0.88A21.77
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		4v0c POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY
KQT MEMBER 1
(Homo
sapiens)		4 / 6ALA A 512
THR A 513
VAL A 516
HIS A 509
None
1.02A10.51
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		5te1 ATP-CITRATE SYNTHASE
(Homo
sapiens)		4 / 6ALA A 413
THR A 412
TYR A 288
HIS A 410
None
0.76A21.13
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.
5ECK_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		6f1y CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1,DYNEIN
HEAVY CHAIN
(Homo
sapiens)		4 / 6ALA f 921
THR f 923
VAL f 925
VAL f1044
None
0.99Aundetectable
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1
(Homo
sapiens)		4 / 6ALA A  75
VAL A  77
TYR A  79
VAL A  54
None
1.04A20.14
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		2vd5 DMPK PROTEIN
(Homo
sapiens)		4 / 6ALA A 376
THR A 375
VAL A 378
VAL A  76
None
0.91A21.08
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		3es6 PROLACTIN-INDUCIBLE
PROTEIN
(Homo
sapiens)		4 / 6ALA B  29
THR B  69
VAL B  27
TYR B  71
None
0.91A12.59
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR
(Homo
sapiens)		4 / 6ALA E  56
VAL E  90
TYR E  88
HIS E  57
None
0.94A17.88
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		5mqi PROTEIN TIMELESS
HOMOLOG,PROTEIN
TIMELESS HOMOLOG
(Homo
sapiens)		4 / 6THR A  70
VAL A 132
VAL A  82
HIS A  72
None
0.98A20.42
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		5te1 ATP-CITRATE SYNTHASE
(Homo
sapiens)		5 / 6ALA A 413
THR A 412
VAL A 415
TYR A 288
HIS A 410
None
1.42A21.13
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		2buj SERINE/THREONINE-PRO
TEIN KINASE 16
(Homo
sapiens)		4 / 6ILE A  15
VAL A  37
VAL A  81
HIS A  44
None
0.88A17.96
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		2vd5 DMPK PROTEIN
(Homo
sapiens)		4 / 6ALA A 376
THR A 375
VAL A 378
VAL A  76
None
0.82A21.08
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		3hhd FATTY ACID SYNTHASE
(Homo
sapiens)		4 / 6ILE A   6
ALA A 183
VAL A 185
VAL A   4
None
0.86A19.27
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5
(Homo
sapiens)		5 / 6ILE A 358
ALA A 375
THR A 377
VAL A 376
VAL A 363
None
1.38A21.54
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		5i4e MYOSIN-14,ALPHA-ACTI
NIN A
(Homo
sapiens;
Dictyostelium
discoideum)		5 / 6ILE A 194
ALA A 176
THR A 178
VAL A 693
HIS A 173
None
1.31A21.87
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		5kz5 IRON-SULFUR CLUSTER
ASSEMBLY ENZYME
ISCU, MITOCHONDRIAL
(Homo
sapiens)		4 / 6ILE a  77
ALA a 105
THR a 106
VAL a 109
None
0.71A11.88