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.
2NOA_A_3TCA302_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
PHE A  96
GLN A  97
ALA A 100
ARG A 104
ARG A 128
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 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 ( 4.6A)
None
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
0.48A92.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		5 / 12ILE A 200
LEU A  82
PHE A  96
GLN A  97
ARG A 128
None
DCZ  A 302 ( 4.9A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
1.12A92.78
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		2nn6 POLYMYOSITIS/SCLEROD
ERMA AUTOANTIGEN 1
(Homo
sapiens)		5 / 12GLU A 211
LEU A 138
PHE A  90
GLN A  95
ALA A  87
None
1.30A23.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 12GLU A  70
TRP A  75
MET A  99
PHE A 110
GLN A 111
None
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
1.03A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		9 / 12ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
PHE A 110
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 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
0.61A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		6 / 12ILE A  47
TRP A  75
LEU A  96
TYR A 100
ARG A 118
ARG A 142
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
0.92A44.68
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		3nr3 PMP2 PROTEIN
(Homo
sapiens)		5 / 12ILE A 105
GLU A  73
LEU A  24
TYR A  20
ALA A  76
PLM  A 901 ( 4.5A)
None
None
None
PLM  A 901 ( 4.0A)
1.22A22.41
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens)		5 / 12ILE A 105
GLU A  73
LEU A  24
TYR A  20
ALA A  76
None
None
None
None
EDO  A1134 ( 3.9A)
0.92A21.66
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		4qmg STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 12ILE A 198
LEU A 218
ALA A  60
ARG A  83
PHE A  80
None
1.22A23.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		11 / 11ILE A  30
GLU A  53
TRP A  58
LEU A  82
TYR A  86
GLN A  97
ALA A 100
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 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 ( 4.6A)
None
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
0.49A92.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		6 / 11ILE A  47
TRP A  75
LEU A  96
TYR A 100
ARG A 118
ARG A 142
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
0.93A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		6 / 11ILE A  47
TRP A  75
LEU A  96
TYR A 100
ARG A 118
ASP A 147
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
DTP  A 301 (-4.1A)
1.07A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		6 / 11ILE A  47
TRP A  75
LEU A  96
TYR A 100
ASP A 147
PHE A 151
DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
0.86A44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		7 / 11ILE A  47
TRP A  75
LEU A  96
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 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
0.61A44.68
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.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		4qmg STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 11ILE A 198
LEU A 218
ALA A  60
ARG A  83
PHE A  80
None
1.29A23.48
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.
2NOA_B_3TCB302_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
1.04A22.29
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.
2NOA_B_3TCB302_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
1.08A22.29