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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)
5m7r PROTEIN O-GLCNACASE
(Homo
sapiens)
6 / 12ASP A 174
TYR A 219
THR A 250
VAL A 254
ASN A 280
ASP A 285
None
0.81A22.40
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)
5m7r PROTEIN O-GLCNACASE
(Homo
sapiens)
7 / 12TYR A 219
THR A 250
VAL A 254
TRP A 278
ASN A 280
ASP A 285
ASN A 313
None
0.46A22.40
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)
5uhk O-GLCNACASE
TIM-BARREL DOMAIN
(Homo
sapiens)
9 / 12LYS A  98
ASP A 174
TYR A 219
THR A 250
VAL A 254
TRP A 278
ASN A 280
ASP A 285
ASN A 313
GOL  A 502 (-4.0A)
GOL  A 501 (-3.1A)
GOL  A 501 (-3.3A)
GOL  A 501 (-4.4A)
None
GOL  A 501 (-3.6A)
GOL  A 501 (-3.4A)
GOL  A 502 (-2.9A)
GOL  A 502 (-3.4A)
0.73A24.31
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)
5uhp O-GLCNACASE
TIM-BARREL DOMAIN
(Homo
sapiens)
8 / 12ASP A 174
TYR A 219
THR A 250
VAL A 254
TRP A 278
ASN A 280
ASP A 285
ASN A 313
GOL  A 501 (-2.5A)
GOL  A 501 (-3.7A)
GOL  A 501 (-4.2A)
GOL  A 501 (-4.2A)
GOL  A 501 (-3.8A)
GOL  A 501 (-3.4A)
None
None
0.54A29.15
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)
5vvo PROTEIN O-GLCNACASE
(Homo
sapiens)
6 / 12ASP A 174
TYR A 219
VAL A 254
ASN A 280
ASP A 285
ASN A 313
None
0.79A25.73
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)
5vvo PROTEIN O-GLCNACASE
(Homo
sapiens)
7 / 12TYR A 219
THR A 250
VAL A 254
TRP A 278
ASN A 280
ASP A 285
ASN A 313
None
0.40A25.73
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)
5m7r PROTEIN O-GLCNACASE
(Homo
sapiens)
6 / 12ASP A 174
TYR A 219
THR A 250
ASN A 280
ASP A 285
TYR A 286
None
0.74A22.40
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)
5m7r PROTEIN O-GLCNACASE
(Homo
sapiens)
7 / 12TYR A 219
THR A 250
TRP A 278
ASN A 280
ASP A 285
TYR A 286
ASN A 313
None
0.50A22.40
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)
5uhk O-GLCNACASE
TIM-BARREL DOMAIN
(Homo
sapiens)
9 / 12LYS A  98
ASP A 174
TYR A 219
THR A 250
TRP A 278
ASN A 280
ASP A 285
TYR A 286
ASN A 313
GOL  A 502 (-4.0A)
GOL  A 501 (-3.1A)
GOL  A 501 (-3.3A)
GOL  A 501 (-4.4A)
GOL  A 501 (-3.6A)
GOL  A 501 (-3.4A)
GOL  A 502 (-2.9A)
None
GOL  A 502 (-3.4A)
0.64A24.31
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)
5uhp O-GLCNACASE
TIM-BARREL DOMAIN
(Homo
sapiens)
8 / 12ASP A 174
TYR A 219
THR A 250
TRP A 278
ASN A 280
ASP A 285
TYR A 286
ASN A 313
GOL  A 501 (-2.5A)
GOL  A 501 (-3.7A)
GOL  A 501 (-4.2A)
GOL  A 501 (-3.8A)
GOL  A 501 (-3.4A)
None
None
None
0.54A29.15
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.
2X0Y_B_X0TB1625_1
(O-GLCNACASE NAGJ)
5vvo PROTEIN O-GLCNACASE
(Homo
sapiens)
8 / 12ASP A 174
TYR A 219
THR A 250
TRP A 278
ASN A 280
ASP A 285
TYR A 286
ASN A 313
None
0.74A25.73