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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)
1d1j PROFILIN II
(Homo
sapiens)
5 / 12TYR A 128
GLY A 103
MET A  85
ILE A 111
LEU A  10
None
1.22A20.24
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)
1snz ALDOSE 1-EPIMERASE
(Homo
sapiens)
5 / 12TYR A 281
GLY A 241
ASN A 284
PHE A 246
LEU A 224
None
1.46A21.56
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)
2l29 INSULIN-LIKE GROWTH
FACTOR 2 RECEPTOR
VARIANT
(Homo
sapiens)
5 / 12TYR A1549
GLY A1564
ASN A1556
PHE A1638
LEU A1636
None
1.24A21.23
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)
3o4o INTERLEUKIN-1
RECEPTOR TYPE 2
(Homo
sapiens)
5 / 12TYR C 205
PRO C  32
ILE C 154
PHE C 145
ARG C  27
None
1.35A17.37
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)
5fn4 NICASTRIN
(Homo
sapiens)
5 / 12ARG A 117
TYR A  94
GLY A  89
PHE A 210
LEU A 212
None
1.05A12.72