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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		1deu PROCATHEPSIN X
(Homo
sapiens)		4 / 8LEU A 126
GLN A 108
TYR A 124
TYR A  82
None
1.27A18.90
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		1ni6 HEME OXYGENASE 1
(Homo
sapiens)		4 / 8TYR A  78
LEU A  61
TYR A 137
TYR A 182
None
1.27A17.66
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		1z7z INTERCELLULAR
ADHESION MOLECULE-1
(Homo
sapiens)		4 / 8LEU I 106
GLN I  98
TYR I 180
PHE I 157
None
1.30A23.73
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		2clp AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3
(Homo
sapiens)		4 / 8LEU A 216
CYH A 215
TYR A 197
PHE A 223
None
1.34A20.70
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		2dzq GENERAL
TRANSCRIPTION FACTOR
II-I REPEAT
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 8TYR A  20
LEU A  55
TYR A  34
PHE A  37
None
1.19A11.59
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		2ggt SCO1 PROTEIN
HOMOLOG,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8LEU A 177
TYR A 163
PHE A 200
TYR A 216
None
1.16A15.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens)		5 / 8TYR A  69
GLN A 215
PHE A 352
TYR A 407
TYR A 444
FAD  A 600 (-4.2A)
HRM  A 700 (-3.4A)
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
0.24A72.53
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5
(Homo
sapiens)		4 / 8LEU A 256
PHE A 476
TYR A 461
TYR A 266
None
1.00A21.59
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		3nvq SEMAPHORIN-7A
(Homo
sapiens)		4 / 8TYR A 611
LEU A 556
TYR A 562
TYR A 608
None
1.21A22.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)		7 / 8TYR A  60
LEU A 171
CYH A 172
GLN A 206
PHE A 343
TYR A 398
TYR A 435
FAD  A 600 (-4.4A)
MBT  A 601 (-4.2A)
None
MBT  A 601 (-3.4A)
MBT  A 601 (-4.7A)
MBT  A 601 ( 3.6A)
MBT  A 601 ( 4.6A)
0.19A99.61
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		4j6r HEAVY CHAIN OF
ANTIBODY VRC23
LIGHT CHAIN OF
ANTIBODY VRC23
(Homo
sapiens)		4 / 8GLN H  39
TYR L  87
PHE L  98
TYR H  91
None
1.19A16.79
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		4obs ALPHA-L-IDURONIDASE
(Homo
sapiens)		4 / 8TYR A  64
LEU A  74
PHE A  52
TYR A 117
None
1.27A22.04
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		4uta BROADLY NEUTRALIZING
HUMAN ANTIBODY EDE1
C8 HEAVY CHAIN
(Homo
sapiens)		4 / 8TYR H  60
LEU H  79
PHE H  81
TYR H  47
None
1.35A18.48
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		4wd4 HEME OXYGENASE 1
(Homo
sapiens)		4 / 8TYR A  78
LEU A  61
TYR A 137
TYR A 182
None
1.31A21.54
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		4wmh HEME OXYGENASE 2
(Homo
sapiens)		4 / 8TYR A  98
LEU A  81
TYR A 157
TYR A 202
None
1.28A17.83
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		5hph HEAT SHOCK PROTEIN
75 KDA,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8TYR A 366
LEU A 295
TYR A 317
PHE A 314
None
1.26A22.46
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		5lbs BROADLY NEUTRALIZING
HUMAN ANTIBODY EDE1
C8
(Homo
sapiens)		4 / 8TYR H  59
LEU H  78
PHE H  80
TYR H  47
None
1.31A14.87
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		5mr8 E3 UBIQUITIN-PROTEIN
LIGASE TRIM33
(Homo
sapiens)		4 / 8LEU A1010
TYR A1018
PHE A1024
TYR A 974
None
1.34A9.56
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		5pwy NUCLEAR AUTOANTIGEN
SP-100
(Homo
sapiens)		4 / 8LEU A 822
TYR A 827
PHE A 833
TYR A 787
None
1.36A14.56
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		5zkp PLATELET-ACTIVATING
FACTOR
RECEPTOR,FLAVODOXIN,
PLATELET-ACTIVATING
FACTOR RECEPTOR
(Desulfovibrio
vulgaris;
Homo
sapiens)		4 / 8TYR A  76
LEU A 279
CYH A 280
TYR A  22
None
9ER  A1201 (-4.8A)
None
9ER  A1201 (-4.6A)
1.28A11.03
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		6ez8 HUNTINGTIN
(Homo
sapiens)		4 / 8TYR A1844
LEU A1837
TYR A1901
PHE A1898
None
1.32A8.45
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.
3PO7_B_ZONB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		2dzq GENERAL
TRANSCRIPTION FACTOR
II-I REPEAT
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 9TYR A  20
LEU A  55
ILE A  76
TYR A  34
PHE A  37
None
1.31A11.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PO7_B_ZONB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens)		6 / 9TYR A  69
ILE A 207
GLN A 215
PHE A 352
TYR A 407
TYR A 444
FAD  A 600 (-4.2A)
None
HRM  A 700 (-3.4A)
HRM  A 700 (-4.3A)
HRM  A 700 ( 3.9A)
FAD  A 600 ( 4.6A)
0.23A72.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PO7_B_ZONB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)		8 / 9TYR A  60
LEU A 171
CYH A 172
ILE A 198
GLN A 206
PHE A 343
TYR A 398
TYR A 435
FAD  A 600 (-4.4A)
MBT  A 601 (-4.2A)
None
None
MBT  A 601 (-3.4A)
MBT  A 601 (-4.7A)
MBT  A 601 ( 3.6A)
MBT  A 601 ( 4.6A)
0.14A99.61