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.
1KI3_A_PE2A1_1
(THYMIDINE KINASE)
1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens)
5 / 12HIS E 582
TYR E 412
GLN E 537
TYR E 514
GLU E 410
FE  E 703 ( 3.3A)
None
None
CO3  E 701 ( 3.8A)
None
1.30A21.24
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.
1KI3_B_PE2B2_1
(THYMIDINE KINASE)
2nps SYNTAXIN 13
SYNTAXIN-6
VESICLE TRANSPORT
THROUGH INTERACTION
WITH T-SNARES
HOMOLOG 1A
(Homo
sapiens;
Rattus
norvegicus)
5 / 12ILE B 216
ILE C 160
MET D 200
GLN D 197
GLU B 220
None
1.37A10.51
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.
1KI3_B_PE2B2_1
(THYMIDINE KINASE)
5xs2 CYCLIN-C
(Homo
sapiens)
5 / 12HIS B 154
ILE B  62
GLN B  49
TYR B 184
GLU B  98
None
1.46A20.35
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.
1KI3_B_PE2B2_1
(THYMIDINE KINASE)
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)
(Homo
sapiens)
5 / 12HIS A1079
GLU A 965
ILE A1308
GLN A1316
ARG A1305
None
1.44A0.00
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.
1KI3_B_PE2B2_1
(THYMIDINE KINASE)
6ejb XYLOSYLTRANSFERASE 1
(Homo
sapiens)
5 / 12ILE A 608
ILE A 609
GLN A 341
ARG A 344
GLU A 607
None
1.40A13.29