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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)
2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)
12 / 12GLU A  53
VAL A  55
TRP A  58
MET A  85
TYR A  86
PHE A  96
GLN A  97
ARG A 104
ARG A 128
PHE A 137
GLU A 197
TYR A 204
DCZ  A 302 (-3.0A)
None
None
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
None
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
DCZ  A 302 (-3.5A)
None
0.71A94.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)
2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)
5 / 12VAL A  55
PHE A  96
GLN A  97
ARG A 128
GLU A 196
None
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
None
1.33A94.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)
2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)
6 / 12GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
1.06A46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)
2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)
10 / 12VAL A  72
TRP A  75
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
GLU A 211
TYR A 218
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
0.55A46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_1
(DEOXYCYTIDINE KINASE)
2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)
9 / 12VAL A  72
TRP A  75
TYR A 100
PHE A 110
ARG A 118
ARG A 142
PHE A 151
GLU A 211
TYR A 218
DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
0.81A46.62
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 4ILE A  53
ASP A 130
LEU A 140
ARG A 123
None
1.23A20.05
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
1ygu LEUKOCYTE COMMON
ANTIGEN
(Homo
sapiens)
4 / 4ILE A 612
ASP A 855
LEU A 848
ARG A 619
None
1.39A16.72
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE
(Homo
sapiens)
4 / 4ILE A  68
ASP A  76
LEU A  59
ARG A 132
None
1.17A20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)
4 / 4ILE A  30
ASP A 133
LEU A 141
ARG A 194
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.2A)
None
DCZ  A 302 ( 4.8A)
0.61A94.30
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens)
4 / 4ILE A 565
ASP A 582
LEU A 577
ARG A 624
None
None
None
SO4  A 999 (-2.9A)
1.25A16.79
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
3fhx PYRIDOXAL KINASE
(Homo
sapiens)
4 / 4ILE A  97
ASP A  60
LEU A  57
ARG A  70
None
None
None
SO4  A 316 (-3.0A)
1.30A21.83
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
3hm8 HEXOKINASE-3
(Homo
sapiens)
4 / 4ILE A 751
ASP A 720
LEU A 519
ARG A 835
None
1.21A19.20
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6
(Homo
sapiens)
4 / 4ILE A 333
ASP A 371
LEU A 311
ARG A 316
None
1.25A18.67
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
4 / 4ILE A 346
ASP A 419
LEU A 426
ARG A 442
None
1.45A14.29
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR
(Homo
sapiens)
4 / 4ILE A1103
ASP A1152
LEU A1034
ARG A1097
None
1.47A10.83