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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		1aye PROCARBOXYPEPTIDASE
A2
(Homo
sapiens)		4 / 5THR A 129
GLY A 115
PRO A 113
ASN A 112
None
0.88A23.32
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		1dtd CARBOXYPEPTIDASE A2
(Homo
sapiens)		4 / 5THR A 484
GLY A 470
PRO A 468
ASN A 467
None
0.87A20.11
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		1gvl KALLIKREIN 6
(Homo
sapiens)		4 / 5GLY A 221
PRO A 225
ASN A 217
TYR A 172
None
1.01A18.93
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		1k4q GLUTATHIONE
REDUCTASE
(Homo
sapiens)		4 / 5THR A 156
GLY A 158
PRO A 293
ASN A 294
FAD  A 499 (-3.9A)
None
None
FAD  A 499 ( 4.5A)
0.87A22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		1n76 LACTOFERRIN
(Homo
sapiens)		4 / 5GLY A 434
PRO A 595
ASN A 596
TYR A 662
None
0.30A68.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens)		4 / 5GLY E 424
PRO E 580
ASN E 581
TYR E 647
None
0.42A58.19
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		2boa CARBOXYPEPTIDASE A4
(Homo
sapiens)		4 / 5THR A1129
GLY A1115
PRO A1113
ASN A1112
None
0.87A22.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		2hau SEROTRANSFERRIN
(Homo
sapiens)		4 / 5GLY A 425
PRO A 583
ASN A 584
TYR A 650
None
0.77A31.30
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		2pcu CARBOXYPEPTIDASE A4
(Homo
sapiens)		4 / 5THR A 129
GLY A 115
PRO A 113
ASN A 112
None
0.86A21.95
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		3fju CARBOXYPEPTIDASE A1
(Homo
sapiens)		4 / 5THR A 129
GLY A 115
PRO A 113
ASN A 112
None
0.87A20.11
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6
(Homo
sapiens)		4 / 5THR A 281
GLY A 178
PRO A 180
ASN A 277
None
1.05A19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		3skp SEROTRANSFERRIN
(Homo
sapiens)		4 / 5GLY A 425
PRO A 583
ASN A 584
TYR A 650
None
0.60A59.82
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		3v4p INTEGRIN ALPHA-4
(Homo
sapiens)		4 / 5THR A  67
GLY A  65
PRO A  64
ASN A  63
None
1.10A20.40
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5THR A 260
GLY A 262
PRO A 402
ASN A 403
FAD  A1449 (-4.1A)
None
None
FAD  A1449 ( 4.5A)
0.83A20.96
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		4dpg LYSINE--TRNA LIGASE
(Homo
sapiens)		4 / 5GLY A 377
PRO A 375
ASN A 562
TYR A 373
None
0.99A21.14
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		4uf4 CARBOXYPEPTIDASE A1
(Homo
sapiens)		4 / 5THR A 239
GLY A 225
PRO A 223
ASN A 222
None
0.87A20.19
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT
(Homo
sapiens)		4 / 5THR B 457
GLY B 459
PRO B  43
TYR B  24
None
1.06A17.35
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		5vhj 26S PROTEASOME
REGULATORY SUBUNIT 4
(Homo
sapiens)		4 / 5THR B 331
GLY B 229
PRO B 227
ASN B 332
None
0.86A22.66
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		5xct VH(S112C)-SARAH
CHIMERA
(Homo
sapiens;
Mus
musculus)		4 / 5THR A  52
GLY A  55
PRO A  57
ASN A  52
None
1.27A22.44
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6fqc BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6
(Homo
sapiens)		4 / 5THR A 281
GLY A 178
PRO A 180
ASN A 277
None
1.10A13.43
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		6gt1 SERINE/THREONINE-PRO
TEIN KINASE NEK7
(Homo
sapiens)		4 / 5THR A  30
GLY A  27
PRO A  24
ASN A  33
None
1.06Aundetectable