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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
1adq IGM-LAMBDA RF-AN FAB
(HEAVY CHAIN)
(Homo
sapiens)
4 / 8LEU H  80
TYR H  90
ILE H 107
VAL H  12
None
0.74A17.90
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
1he3 BILIVERDIN IX BETA
REDUCTASE
(Homo
sapiens)
4 / 8LEU A  75
ILE A  72
VAL A  65
THR A  64
NAP  A1206 (-4.6A)
None
None
None
0.93A15.05
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
1hlg LIPASE, GASTRIC
(Homo
sapiens)
4 / 8VAL A  94
LEU A  63
ILE A 357
VAL A 366
None
0.96A14.92
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
1ij9 VASCULAR CELL
ADHESION PROTEIN 1
(Homo
sapiens)
5 / 8VAL A 195
LEU A 193
ILE A  97
VAL A 156
THR A 157
None
1.33A17.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
1qlz PRION PROTEIN
(Homo
sapiens)
5 / 8TYR A 128
TYR A 162
ILE A 182
VAL A 189
THR A 190
None
1.14A88.60
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)
4 / 8LEU A 153
TYR A 156
TYR A 182
VAL A  10
None
0.89A16.32
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
1wh6 HOMEOBOX PROTEIN
CUX-2
(Homo
sapiens)
4 / 8VAL A  26
LEU A  30
ILE A  39
VAL A  88
None
0.98A23.28
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
2anr NEURO-ONCOLOGICAL
VENTRAL ANTIGEN 1
(Homo
sapiens)
4 / 8VAL A  10
LEU A   8
ILE A  62
THR A  35
None
0.91A19.63
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
2q8h [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1
(Homo
sapiens)
4 / 8VAL A 177
LEU A 181
TYR A 357
ILE A 361
None
0.94A11.91
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
2v5n CATION-INDEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR
(Homo
sapiens)
4 / 8VAL A1786
LEU A1761
TYR A1741
ILE A1732
None
0.95A13.48
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens)
5 / 8VAL A 108
LEU A 109
TYR A  84
ILE A  82
THR A  25
None
1.37A15.84
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
3crd RAIDD
(Homo
sapiens)
4 / 8VAL A   8
LEU A   9
ILE A  60
VAL A  26
None
0.93A17.46
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
3ep7 S-ADENOSYLMETHIONINE
DECARBOXYLASE ALPHA
CHAIN
(Homo
sapiens)
4 / 8VAL A 286
LEU A 284
ILE A 268
GLN A 300
None
0.86A18.25
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.
4MA7_A_P2ZA301_1
(MAJOR PRION PROTEIN)
3ep7 S-ADENOSYLMETHIONINE
DECARBOXYLASE ALPHA
CHAIN
(Homo
sapiens)
4 / 8VAL A 286
LEU A 284
TYR A 264
ILE A 268
None
0.92A18.25