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.
1KI7_A_ID2A1_0
(THYMIDINE KINASE)
1yns E-1 ENZYME
(Homo
sapiens)
5 / 12GLU A  41
ILE A  35
MET A 117
ALA A 120
GLU A  37
None
1.47A21.45
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.
1KI7_A_ID2A1_0
(THYMIDINE KINASE)
3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Homo
sapiens;
Escherichia
virus
T4)
5 / 12HIS A 278
ILE A  64
TYR A   9
ALA A  81
GLU A  13
UKA  A1200 (-3.9A)
None
None
None
None
1.41A20.78
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.
1KI7_A_ID2A1_0
(THYMIDINE KINASE)
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens)
5 / 12HIS A 278
ILE A  64
TYR A   9
ALA A  81
GLU A  13
None
OLA  A1206 ( 4.0A)
None
None
None
1.46Aundetectable
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.
1KI7_B_ID2B2_0
(THYMIDINE KINASE)
1gul GLUTATHIONE
TRANSFERASE A4-4
(Homo
sapiens)
5 / 12ILE A 159
GLN A 162
ARG A  15
ARG A  69
GLU A  97
None
1.47A22.02
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.
1KI7_B_ID2B2_0
(THYMIDINE KINASE)
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
(Homo
sapiens)
5 / 12ILE A 603
ARG A 608
ALA A 610
ARG A 626
GLU A 601
None
1.45A24.33
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.
1KI7_B_ID2B2_0
(THYMIDINE KINASE)
3fju CARBOXYPEPTIDASE A1
(Homo
sapiens)
5 / 12HIS A 196
ILE A 247
ILE A 243
ARG A 127
GLU A 270
ZN  A 999 (-3.2A)
None
None
ACT  A 515 (-3.4A)
ACT  A 515 (-4.3A)
1.38A22.07
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.
1KI7_B_ID2B2_0
(THYMIDINE KINASE)
3nbi RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
1
(Homo
sapiens)
5 / 12ILE A  31
ILE A   6
GLN A  45
MET A  48
GLU A  28
None
1.39A23.42
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.
1KI7_B_ID2B2_0
(THYMIDINE KINASE)
4j5q O-ACETYL-ADP-RIBOSE
DEACETYLASE 1
(Homo
sapiens)
5 / 12ILE A 136
ILE A 147
MET A 117
ARG A 119
TYR A  16
None
1.22A18.18
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.
1KI7_B_ID2B2_0
(THYMIDINE KINASE)
4j5q O-ACETYL-ADP-RIBOSE
DEACETYLASE 1
(Homo
sapiens)
5 / 12ILE A 136
ILE A 147
MET A 117
TYR A  16
GLU A 137
None
1.34A18.18
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.
1KI7_B_ID2B2_0
(THYMIDINE KINASE)
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA
RETINOIC ACID
RECEPTOR BETA
(Homo
sapiens;
Homo
sapiens)
5 / 12HIS B 365
GLU A 401
ILE B 356
ILE B 370
ARG B 357
None
1.16A19.76