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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		12 / 12ILE A  30
GLU A  53
TRP A  58
LEU A  82
MET A  85
TYR A  86
GLN A  97
ARG A 104
ARG A 128
ASP A 133
PHE A 137
TYR A 204
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
None
DCZ  A 302 ( 4.9A)
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
None
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
None
0.63A92.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		8 / 12ILE A  47
LEU A  96
MET A  99
TYR A 100
GLN A 111
ASP A 147
PHE A 151
TYR A 218
DTP  A 301 (-3.8A)
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
None
0.95A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 12ILE A  47
TRP A  75
LEU A  96
ARG A 118
ARG A 142
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
1.00A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		9 / 12ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
TYR A 218
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
None
0.64A44.68
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		4u1a ENOYL-COA DELTA
ISOMERASE 2
(Homo
sapiens)		5 / 12LEU A 281
ARG A 318
ASP A 223
PHE A 222
TYR A 161
None
1.29A25.00
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL
(Homo
sapiens)		6 / 12ILE w  66
LEU w 114
GLN w 132
ARG w 161
ASP w 166
TYR w 233
None
0.98A22.29
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL
(Homo
sapiens)		5 / 12ILE w  66
LEU w 114
TYR w 118
ARG w 161
ASP w 166
None
1.01A22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		11 / 11ILE A  30
GLU A  53
TRP A  58
LEU A  82
MET A  85
TYR A  86
GLN A  97
ARG A 104
ARG A 128
ASP A 133
PHE A 137
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
None
DCZ  A 302 ( 4.9A)
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
None
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
0.58A92.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 11ILE A  47
TRP A  75
LEU A  96
ARG A 118
ARG A 142
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
0.96A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 11ILE A  47
TRP A  75
LEU A  96
ARG A 118
ASP A 147
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-3.1A)
DTP  A 301 (-4.1A)
1.11A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		7 / 11ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
ASP A 147
PHE A 151
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
0.90A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		8 / 11ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
0.63A44.68
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.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		4pj3 INTRON-BINDING
PROTEIN AQUARIUS
(Homo
sapiens)		5 / 11ILE A 691
GLU A1069
MET A1061
ARG A1122
PHE A1123
None
1.49A12.35
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.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL
(Homo
sapiens)		5 / 11ILE w  66
LEU w 114
GLN w 132
ARG w 161
ASP w 166
None
0.99A22.29
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.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL
(Homo
sapiens)		5 / 11ILE w  66
LEU w 114
TYR w 118
ARG w 161
ASP w 166
None
1.02A22.29