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.
2EFJ_A_37TA502_1
(3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE)
1zkc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
LIKE 2
(Homo
sapiens)
5 / 12TYR A 316
LEU A 366
ILE A 330
ILE A 426
ILE A 428
None
1.36A19.12
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.
2EFJ_A_37TA502_1
(3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE)
1zrz PROTEIN KINASE C,
IOTA
(Homo
sapiens)
5 / 12LEU A 372
TYR A 410
TRP A 428
SER A 442
ILE A 465
None
1.34A23.28
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.
2EFJ_A_37TA502_1
(3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE)
4bn2 KINESIN-LIKE PROTEIN
KIF15
(Homo
sapiens)
5 / 12LEU A 278
ILE A 322
ILE A  13
ILE A 285
TYR A  94
None
1.39A21.05
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.
2EFJ_A_37TA502_1
(3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE)
4d86 POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens)
5 / 12LEU A 859
ILE A 921
SER A 904
ILE A 918
ILE A 878
None
1.30A21.92
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.
2EFJ_A_37TA502_1
(3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE)
4k3j HEPATOCYTE GROWTH
FACTOR BETA CHAIN
(Homo
sapiens)
5 / 12LEU B 238
ILE B 247
ILE B 279
ILE B 235
TYR B 291
None
1.46A21.45
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.
2EFJ_A_37TA502_1
(3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE)
5knm LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1
(Homo
sapiens)
5 / 12HIS D  69
TRP D  46
ILE D  65
ILE D  62
TYR D  73
None
1.45A23.14