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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
1gq4 EZRIN-RADIXIN-MOESIN
BINDING
PHOSPHOPROTEIN-50
(Homo
sapiens)
5 / 11LEU A  59
LEU A  17
CYH A  16
ILE A  79
TYR A  24
None
1.45A11.99
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
2gkw TNF
RECEPTOR-ASSOCIATED
FACTOR 3
(Homo
sapiens)
5 / 11LEU A 396
LEU A 434
ILE A 485
GLN A 437
ILE A 358
None
1.49A15.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens)
6 / 11TYR A  69
GLN A 215
ILE A 325
PHE A 352
TYR A 407
TYR A 444
FAD  A 600 (-4.2A)
HRM  A 700 (-3.4A)
None
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
0.21A72.53
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
3ihp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 5
(Homo
sapiens)
5 / 11TYR A 568
LEU A 533
ILE A 571
ILE A 599
TYR A 778
None
1.23A19.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)
9 / 11TYR A  60
LEU A 164
LEU A 171
CYH A 172
GLN A 206
ILE A 316
PHE A 343
TYR A 398
TYR A 435
FAD  A 600 (-4.4A)
None
MBT  A 601 (-4.2A)
None
MBT  A 601 (-3.4A)
MBT  A 601 (-4.6A)
MBT  A 601 (-4.7A)
MBT  A 601 ( 3.6A)
MBT  A 601 ( 4.6A)
0.20A99.61
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
4obs ALPHA-L-IDURONIDASE
(Homo
sapiens)
5 / 11TYR A  64
LEU A 604
LEU A  74
PHE A  52
TYR A 117
None
1.23A22.04
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)
5 / 11LEU A2730
LEU A2710
GLN A2716
ILE A2726
PHE A2677
None
1.46A9.42
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
4s0v HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi)
5 / 11LEU A1058
LEU A1051
ILE A1170
PHE A1037
TYR A1120
None
1.40A21.83
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
4xvm DNA POLYMERASE NU
(Homo
sapiens)
5 / 11LEU A 842
ILE A 631
PHE A 654
TYR A 682
TYR A 686
None
1.38A21.23
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
4zch TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B
(Homo
sapiens)
5 / 11LEU A 186
ILE A 203
ILE A 193
PHE A 286
TYR A 405
None
1.41A21.50
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT
(Homo
sapiens)
5 / 11ILE B 432
GLN B 347
ILE B 417
PHE B 357
TYR B 339
None
1.23A22.58
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE
(Homo
sapiens;
Pyrococcus
abyssi)
5 / 11LEU A1058
LEU A1051
ILE A1170
PHE A1037
TYR A1120
None
1.42A21.79
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
1qag UTROPHIN ACTIN
BINDING REGION
(Homo
sapiens)
5 / 12LEU A  73
LEU A  70
LEU A  66
ILE A  41
ILE A 130
None
0.95A16.89
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
1w8d 2,4-DIENOYL-COA
REDUCTASE,
MITOCHONDRIAL
PRECURSOR
(Homo
sapiens)
5 / 12PRO A 240
LEU A 277
LEU A 280
LEU A 284
CYH A 285
NAP  A1330 (-4.5A)
None
None
None
None
1.08A19.58
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2
(Homo
sapiens)
5 / 12LEU A 442
LEU A 445
ILE A 500
ILE A 489
TYR A 459
None
1.14A19.46
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens)
5 / 12PRO A 171
GLN A 179
ILE A 616
TYR A 613
PHE A 609
None
0.99A20.44
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)
5 / 12LEU A 364
LEU A 428
LEU A 429
ILE A 489
ILE A 347
None
1.07A19.53
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
2y0n MALE-SPECIFIC LETHAL
1 HOMOLOG
MALE-SPECIFIC LETHAL
3 HOMOLOG
(Homo
sapiens;
Mus
musculus)
5 / 12PRO E 582
LEU E 584
LEU A 459
ILE A 466
PHE A 460
None
1.14A7.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens)
7 / 12PRO A 113
LEU A 176
GLN A 215
ILE A 325
PHE A 352
TYR A 407
TYR A 444
None
None
HRM  A 700 (-3.4A)
None
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
0.48A72.53
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)
5 / 12LEU B  95
LEU B  71
LEU B  50
ILE B  76
ILE B  65
None
1.14A21.38
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3
(Homo
sapiens)
5 / 12LEU A 322
LEU A 395
LEU A 528
ILE A 196
TYR A 438
None
1.14A21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)
10 / 12PRO A 104
LEU A 164
LEU A 167
LEU A 171
CYH A 172
GLN A 206
ILE A 316
PHE A 343
TYR A 398
TYR A 435
None
None
None
MBT  A 601 (-4.2A)
None
MBT  A 601 (-3.4A)
MBT  A 601 (-4.6A)
MBT  A 601 (-4.7A)
MBT  A 601 ( 3.6A)
MBT  A 601 ( 4.6A)
0.42A99.61
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
4krf PROTEIN ARGONAUTE-1
(Homo
sapiens)
5 / 12LEU A 777
LEU A 780
LEU A 784
CYH A 785
ILE A 663
None
0.80A20.07
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1
(Homo
sapiens)
5 / 12LEU A 162
LEU A 198
LEU A 202
CYH A 203
ILE A 119
None
1.10A20.29
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(Homo
sapiens)
5 / 12LEU G1366
LEU G1394
LEU G1420
ILE G1389
ILE G1379
None
1.11A22.16
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
5e1t TNF
RECEPTOR-ASSOCIATED
FACTOR 1
(Homo
sapiens)
5 / 12LEU A 291
LEU A 309
LEU A 322
ILE A 273
PHE A 388
None
0.89A17.03
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
5vm9 PROTEIN ARGONAUTE-3
(Homo
sapiens)
5 / 12LEU A 780
LEU A 783
LEU A 787
CYH A 788
ILE A 666
None
0.80A20.09
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)
5wea PROTEIN ARGONAUTE-2
(Homo
sapiens)
5 / 12LEU A 779
LEU A 782
LEU A 786
CYH A 787
ILE A 665
None
0.73A9.47