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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
2wl1 PYRIN
(Homo
sapiens)
5 / 10VAL A 659
GLY A 660
THR A 735
ASN A 733
VAL A 718
None
1.32A20.30
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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN
(Homo
sapiens)
5 / 10GLY S  43
PHE S  41
GLY S 193
THR S  54
VAL S  32
None
1.25A21.67
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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
5 / 10VAL A 235
GLY A 232
ASN A 265
VAL A 126
HIS A 227
None
1.32A20.83
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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
3thc BETA-GALACTOSIDASE
(Homo
sapiens)
5 / 10GLY A 494
VAL A 439
GLY A 438
THR A 405
VAL A 477
None
1.13A17.57
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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5k5f HELICASE-LIKE
TRANSCRIPTION FACTOR
(Homo
sapiens)
5 / 10VAL A  83
GLY A 132
MET A 148
ASN A 139
HIS A  66
None
1.22A18.22
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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5k5f HELICASE-LIKE
TRANSCRIPTION FACTOR
(Homo
sapiens)
5 / 10VAL A  83
GLY A 132
MET A 148
VAL A 108
HIS A  66
None
1.28A18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE
(Homo
sapiens)
10 / 10GLY A 118
PHE A 200
GLU A 201
VAL A 217
GLY A 218
MET A 219
THR A 242
ASN A 243
VAL A 245
HIS A 257
IM5  A 308 (-3.7A)
IM5  A 308 (-4.6A)
IM5  A 308 (-2.9A)
IM5  A 308 (-4.4A)
IM5  A 308 (-3.4A)
IM5  A 308 (-3.5A)
IM5  A 308 (-4.3A)
IM5  A 308 (-3.1A)
IM5  A 308 ( 4.5A)
IM5  A 308 (-3.6A)
0.43A99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE
(Homo
sapiens)
5 / 10GLY A 119
GLU A 201
VAL A 217
ASN A 243
VAL A 245
None
IM5  A 308 (-2.9A)
IM5  A 308 (-4.4A)
IM5  A 308 (-3.1A)
IM5  A 308 ( 4.5A)
1.32A99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE
(Homo
sapiens)
5 / 10GLY A 218
PHE A 200
GLU A 201
GLY A 197
HIS A 257
IM5  A 308 (-3.4A)
IM5  A 308 (-4.6A)
IM5  A 308 (-2.9A)
None
IM5  A 308 (-3.6A)
1.24A99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE
(Homo
sapiens)
5 / 10PHE A 200
GLU A 201
VAL A 245
GLY A 118
HIS A 257
IM5  A 308 (-4.6A)
IM5  A 308 (-2.9A)
IM5  A 308 ( 4.5A)
IM5  A 308 (-3.7A)
IM5  A 308 (-3.6A)
1.11A99.65