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.
5ZWR_A_9KLA402_0
(EST-Y29)		1kwm PROCARBOXYPEPTIDASE
B
(Homo
sapiens)		5 / 12PHE A  78
ILE A 195
LEU A 271
ALA A 296
LEU A 230
None
1.04A21.87
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.
5ZWR_A_9KLA402_0
(EST-Y29)		1zli CARBOXYPEPTIDASE B
(Homo
sapiens)		5 / 12PHE A  78
ILE A 195
LEU A 271
ALA A 296
LEU A 230
None
1.03A21.20
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.
5ZWR_A_9KLA402_0
(EST-Y29)		4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1
(Homo
sapiens)		5 / 12PHE A 558
ILE A 800
LEU A 549
GLY A 228
LEU A 546
None
1.20A19.64
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.
5ZWR_A_9KLA402_0
(EST-Y29)		4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens)		5 / 12PHE A 221
ILE A 237
TYR A 212
GLY A 261
ALA A 245
None
1.20A20.92
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.
5ZWR_A_9KLA402_0
(EST-Y29)		4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B
(Homo
sapiens)		5 / 12TYR A 579
ILE A 582
LEU A 586
GLY A 807
ALA A 808
None
None
None
None
FAD  A 901 (-3.2A)
1.18A18.91
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.
5ZWR_A_9KLA402_0
(EST-Y29)		5jhq TANKYRASE-1
(Homo
sapiens)		5 / 12LYS A 210
ILE A 251
HIS A 221
ALA A 240
LEU A 236
None
1.08A24.45
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.
5ZWR_A_9KLA402_0
(EST-Y29)		5xgc RAP1 GTPASE-GDP
DISSOCIATION
STIMULATOR 1
(Homo
sapiens)		5 / 12ILE A 425
LEU A 446
GLY A 474
ALA A 476
LEU A 480
None
1.07A21.25
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.
5ZWR_A_9KLA402_0
(EST-Y29)		5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22
(Homo
sapiens)		5 / 12ILE A 345
LEU A 642
GLY A 341
ALA A 342
LEU A 306
None
1.22Aundetectable
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.
5ZWR_B_9KLB402_0
(EST-Y29)		1ds6 RHO GDP-DISSOCIATION
INHIBITOR 2
(Homo
sapiens)		5 / 12TYR B 107
SER B 105
ILE B 195
LEU B 193
LEU B  74
None
1.20A18.45
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.
5ZWR_B_9KLB402_0
(EST-Y29)		1kwm PROCARBOXYPEPTIDASE
B
(Homo
sapiens)		5 / 12PHE A  78
ILE A 195
LEU A 271
ALA A 296
LEU A 230
None
1.01A21.87
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.
5ZWR_B_9KLB402_0
(EST-Y29)		1ni6 HEME OXYGENASE 1
(Homo
sapiens)		5 / 12TYR A  58
ILE A  57
LEU A 118
ALA A 133
LEU A 129
None
1.43A21.43
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.
5ZWR_B_9KLB402_0
(EST-Y29)		1um1 KIAA1849 PROTEIN
(Homo
sapiens)		5 / 12PHE A  90
ILE A  81
LEU A  25
ALA A  49
LEU A  43
None
1.42A16.79
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.
5ZWR_B_9KLB402_0
(EST-Y29)		1zli CARBOXYPEPTIDASE B
(Homo
sapiens)		5 / 12PHE A  78
ILE A 195
LEU A 271
ALA A 296
LEU A 230
None
1.00A21.20
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2fim TUBBY RELATED
PROTEIN 1
(Homo
sapiens)		5 / 12SER A 480
TYR A 355
LEU A 469
ALA A 478
LEU A 463
None
1.10A24.45
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2jrz HISTONE DEMETHYLASE
JARID1C
(Homo
sapiens)		5 / 12SER A  46
TYR A  15
ILE A  19
LEU A  30
LEU A  40
None
1.31A14.62
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.
5ZWR_B_9KLB402_0
(EST-Y29)		2zu6 PROGRAMMED CELL
DEATH PROTEIN 4
(Homo
sapiens)		5 / 12ILE B 396
TYR B 405
LEU B 351
ALA B 367
LEU B 335
None
1.39A23.28
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.
5ZWR_B_9KLB402_0
(EST-Y29)		3c5n TUBBY-RELATED
PROTEIN 1
(Homo
sapiens)		5 / 12SER A 480
TYR A 355
LEU A 469
ALA A 478
LEU A 463
None
1.10A21.46
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.
5ZWR_B_9KLB402_0
(EST-Y29)		3ctt MALTASE-GLUCOAMYLASE
(Homo
sapiens)		5 / 12SER A 622
ILE A 629
LEU A 727
HIS A 625
LEU A 720
None
None
None
SO4  A4001 (-3.9A)
None
1.42A19.15
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.
5ZWR_B_9KLB402_0
(EST-Y29)		3se4 INTERFERON OMEGA-1
(Homo
sapiens)		5 / 12SER B 153
TYR B 125
PHE B 126
ILE B 129
LEU B  69
None
1.20A17.40
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.
5ZWR_B_9KLB402_0
(EST-Y29)		3ux9 INTERFERON
ALPHA-1/13
(Homo
sapiens)		5 / 12SER A 151
TYR A 123
PHE A 124
ILE A 127
LEU A  67
None
1.21A18.55
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.
5ZWR_B_9KLB402_0
(EST-Y29)		4bvx EUKARYOTIC
TRANSLATION
ELONGATION FACTOR 1
EPSILON-1
(Homo
sapiens)		5 / 12ILE B 118
TYR B  59
LEU B  10
ALA B  55
LEU B  16
None
1.42A16.04
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.
5ZWR_B_9KLB402_0
(EST-Y29)		4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE
(Homo
sapiens)		5 / 12TYR A 138
PHE A 136
ILE A 121
ARG A 117
LEU A 173
None
1.28A21.08
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.
5ZWR_B_9KLB402_0
(EST-Y29)		4y85 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 8
(Homo
sapiens)		5 / 12SER A  92
ILE A 169
LEU A 205
ALA A  88
LEU A  84
None
1.28A21.71
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.
5ZWR_B_9KLB402_0
(EST-Y29)		5nfn JMJC
DOMAIN-CONTAINING
PROTEIN 7
(Homo
sapiens)		5 / 12TYR A 253
SER A 252
ILE A 238
LEU A 177
ALA A 256
None
1.39Aundetectable
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.
5ZWR_B_9KLB402_0
(EST-Y29)		5okt CASEIN KINASE I
ISOFORM DELTA
(Homo
sapiens)		5 / 12TYR C  56
ILE C 148
LEU C 135
ALA C  36
LEU C  84
9XK  C 301 (-4.3A)
9XK  C 301 ( 3.6A)
9XK  C 301 (-4.6A)
9XK  C 301 ( 3.7A)
9XK  C 301 (-3.7A)
1.40Aundetectable
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.
5ZWR_B_9KLB402_0
(EST-Y29)		5yc1 TNF
RECEPTOR-ASSOCIATED
FACTOR 4
(Homo
sapiens)		5 / 12TYR A 317
ILE A 445
LEU A 390
ALA A 350
LEU A 365
None
1.36A18.07