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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
1t3g X-LINKED
INTERLEUKIN-1
RECEPTOR ACCESSORY
PROTEIN-LIKE 1
(Homo
sapiens)
4 / 8ILE A 510
LEU A 431
ILE A 474
THR A 478
None
0.84A20.38
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)
4 / 8ILE A   7
ALA A   9
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
None
MXA  A 187 (-4.3A)
0.30A27.27
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens)
4 / 8ALA A 183
ASP A 136
LEU A  93
TYR A 212
None
0.87A10.48
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
3lmk METABOTROPIC
GLUTAMATE RECEPTOR 5
(Homo
sapiens)
4 / 8ILE A  37
ALA A  39
LEU A  73
ILE A  36
None
0.77A10.18
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
3sob LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6
(Homo
sapiens)
4 / 8ALA B 101
MET B 152
LEU B 187
ILE B 119
None
0.90A12.58
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
3zcw KINESIN-LIKE PROTEIN
KIF11
(Homo
sapiens)
4 / 8ILE A  19
LEU A 320
ILE A 332
THR A 328
None
None
4A2  A1366 (-3.9A)
None
0.66A12.20
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
4fdj N-ACETYLGALACTOSAMIN
E-6-SULFATASE
(Homo
sapiens)
4 / 8ILE A 265
MET A  41
LEU A  37
ILE A 261
None
0.90A10.86
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
4flc ADENYLOSUCCINATE
LYASE
(Homo
sapiens)
4 / 8ILE A 237
ALA A 235
ASP A 223
ILE A 238
None
0.85A11.14
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)
4 / 8ILE A  95
LEU A 241
ILE A 152
THR A 148
None
None
NAP  A 801 (-4.5A)
None
0.64A15.21
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)
5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL
(Homo
sapiens)
4 / 8ILE M 455
ALA M 492
LEU M 476
ILE M 451
None
0.76A9.00