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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens)		5 / 12ARG A 119
HIS A 151
VAL A 226
MET A  62
ASP A 299
NDP  A 502 (-3.6A)
None
NDP  A 502 (-3.9A)
None
None
0.87A18.15
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1
(Homo
sapiens)		5 / 12ARG A  84
ILE A  37
VAL A  65
PHE A  99
ASP A 100
None
1.20A18.78
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		3rap PROTEIN (G PROTEIN
RAP2A)
(Homo
sapiens)		5 / 12GLU R 159
ARG R 162
ILE R  79
GLU R 155
ASP R  47
None
1.17A23.37
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		4v3d ENDOTHELIAL PROTEIN
C RECEPTOR
HB3VAR03 CIDRA
DOMAIN
(Homo
sapiens;
Plasmodium
falciparum)		5 / 12ILE A 696
VAL A 579
PHE A 575
ASP A 572
ASP B  45
None
1.25A20.78
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		4v3d ENDOTHELIAL PROTEIN
C RECEPTOR
HB3VAR03 CIDRA
DOMAIN
(Homo
sapiens;
Plasmodium
falciparum)		5 / 12TYR A 643
VAL A 579
PHE A 575
ASP A 572
ASP B  45
None
1.40A20.78
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		5vbu CYTOCHROME P450
21-HYDROXYLASE
(Homo
sapiens)		5 / 12ILE A 237
VAL A 238
TYR A 191
PHE A 178
ASP A 256
None
1.43A17.04
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		2rd7 COMPLEMENT COMPONENT
C8 ALPHA CHAIN
(Homo
sapiens)		5 / 10GLU A 322
ILE A 324
ARG A 392
TYR A 200
ASP A 242
None
1.43A14.95
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		4h1s 5'-NUCLEOTIDASE
(Homo
sapiens)		5 / 10GLU A  42
ILE A 324
ARG A 328
GLU A 409
ASP A 332
None
1.46A15.67
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		5la7 HEPARANASE
(Homo
sapiens)		5 / 10GLU A 113
ILE A  73
ARG A  70
GLU A 143
ASP A  68
None
1.25A13.39
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		5nj8 ARYL HYDROCARBON
RECEPTOR
ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
(Homo
sapiens)		5 / 10GLU B  98
ILE B  97
ARG B 101
HIS B  94
ASP A  65
None
1.37A18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HCD_A_LNRA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE
(Homo
sapiens)		9 / 9ASN A  39
TYR A  40
ARG A  44
VAL A  53
LYS A  57
PHE A 182
GLU A 219
TYR A 222
ASP A 267
IDI  A3003 ( 3.9A)
SAH  A2002 (-4.6A)
IDI  A3003 (-4.1A)
IDI  A3003 ( 4.6A)
IDI  A3003 ( 4.1A)
IDI  A3003 ( 3.4A)
IDI  A3003 (-3.1A)
IDI  A3003 (-3.8A)
IDI  A3003 (-3.8A)
0.33A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HCD_B_LNRB2002_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE
(Homo
sapiens)		12 / 12TYR A  35
ASN A  39
TYR A  40
ARG A  44
VAL A  53
LYS A  57
PHE A 182
GLU A 219
TYR A 222
MET A 258
ASP A 267
VAL A 269
SAH  A2002 ( 4.4A)
IDI  A3003 ( 3.9A)
SAH  A2002 (-4.6A)
IDI  A3003 (-4.1A)
IDI  A3003 ( 4.6A)
IDI  A3003 ( 4.1A)
IDI  A3003 ( 3.4A)
IDI  A3003 (-3.1A)
IDI  A3003 (-3.8A)
IDI  A3003 (-4.2A)
IDI  A3003 (-3.8A)
None
0.37A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		1dmw PHENYLALANINE
HYDROXYLASE
(Homo
sapiens)		6 / 6LEU A 248
PHE A 254
HIS A 285
HIS A 290
TYR A 325
GLU A 330
HBI  A 700 ( 4.5A)
HBI  A 700 (-3.6A)
FE  A 425 (-3.4A)
FE  A 425 (-3.3A)
HBI  A 700 (-3.8A)
FE  A 425 (-2.5A)
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1
(Homo
sapiens)		4 / 6LEU A 445
HIS A 357
HIS A 353
GLU A 376
None
BES  A1950 ( 3.3A)
ZN  A1946 ( 3.3A)
ZN  A1946 ( 2.1A)
0.99A15.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		3hf8 TRYPTOPHAN
5-HYDROXYLASE 1
(Homo
sapiens)		5 / 6PHE A 241
HIS A 272
HIS A 277
TYR A 312
GLU A 317
None
FE  A 400 ( 3.3A)
FE  A 400 (-3.2A)
None
FE  A 400 ( 1.9A)
0.54A66.21
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens)		4 / 6LEU A1390
HIS A1299
HIS A1295
GLU A1318
None
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
0.95A19.02
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		4kxb GLUTAMYL
AMINOPEPTIDASE
(Homo
sapiens)		4 / 6LEU A 486
HIS A 397
HIS A 393
GLU A 416
None
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.3A)
ZN  A1001 ( 2.4A)
1.00A17.03
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens)		4 / 6LEU A 556
HIS A 468
HIS A 464
GLU A 487
None
ZN  A1101 (-3.2A)
ZN  A1101 ( 3.2A)
ZN  A1101 ( 1.9A)
0.89A17.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens)		5 / 6PHE A 287
HIS A 318
HIS A 323
TYR A 358
GLU A 363
IMD  A 600 ( 4.4A)
FE  A1491 ( 3.5A)
FE  A1491 ( 3.3A)
None
FE  A1491 ( 2.0A)
0.48A64.56
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		4wgk NEUTRAL CERAMIDASE
(Homo
sapiens)		4 / 6HIS A 303
HIS A 194
TYR A 576
GLU A 540
 ZN  A 801 ( 3.2A)
ZN  A 801 ( 3.3A)
None
ZN  A 801 ( 2.0A)
0.94A17.94
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		5ahr DNA CROSS-LINK
REPAIR 1A PROTEIN
(Homo
sapiens)		4 / 6LEU A 911
HIS A 734
HIS A 793
GLU A 993
None
ZN  A2041 (-3.1A)
ZN  A2041 (-3.4A)
None
1.05A20.60
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		5e3c DIPEPTIDYL PEPTIDASE
3
(Homo
sapiens)		4 / 6LEU A 625
HIS A 455
HIS A 450
GLU A 508
None
ZN  A 801 (-3.3A)
ZN  A 801 (-3.2A)
ZN  A 801 (-2.2A)
0.85A17.29
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2
(Homo
sapiens)		4 / 6LEU A 462
HIS A 374
HIS A 370
GLU A 393
None
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 1.7A)
0.99A16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		5l01 TRYPTOPHAN
5-HYDROXYLASE 1
(Homo
sapiens)		5 / 6PHE A 241
HIS A 272
HIS A 277
TYR A 312
GLU A 317
6Z4  A 502 ( 4.8A)
FE  A 501 ( 3.2A)
FE  A 501 (-3.3A)
6Z4  A 502 ( 4.6A)
FE  A 501 ( 1.8A)
0.49A65.91