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.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		9 / 12GLU A  53
TRP A  58
MET A  85
TYR A  86
PHE A  96
GLN A  97
ARG A 128
PHE A 137
GLU A 197
DCZ  A 302 (-3.0A)
None
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
DCZ  A 302 (-3.5A)
0.60A93.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		9 / 12GLU A  53
VAL A  55
TRP A  58
MET A  85
TYR A  86
PHE A  96
GLN A  97
ARG A 128
PHE A 137
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)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
0.70A93.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		5 / 12TRP A  58
MET A  85
TYR A  86
PHE A  96
GLU A 196
None
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-4.6A)
None
1.48A93.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HP1_A_LLTA401_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)
1.21A43.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		7 / 12VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
ARG A 142
PHE A 151
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
0.94A43.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HP1_A_LLTA401_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		8 / 12VAL A  72
TRP A  75
MET A  99
TYR A 100
PHE A 110
ARG A 142
PHE A 151
GLU A 211
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
0.80A43.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		5 / 10GLU A  53
ARG A 128
PHE A 137
LEU A 141
GLU A 197
DCZ  A 302 (-3.0A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
None
DCZ  A 302 (-3.5A)
0.97A92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		5 / 10GLU A  53
GLN A  97
ARG A 128
PHE A 137
LEU A 141
DCZ  A 302 (-3.0A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
None
0.97A92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		5 / 10GLU A  53
LEU A  82
ARG A 128
LEU A 141
GLU A 197
DCZ  A 302 (-3.0A)
DCZ  A 302 ( 4.9A)
DCZ  A 302 (-4.1A)
None
DCZ  A 302 (-3.5A)
1.01A92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		5 / 10GLU A  53
LEU A  82
GLN A  97
ARG A 128
LEU A 141
DCZ  A 302 (-3.0A)
DCZ  A 302 ( 4.9A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
None
1.00A92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		5 / 10GLU A  53
LEU A  82
MET A  85
ARG A 128
LEU A 141
DCZ  A 302 (-3.0A)
DCZ  A 302 ( 4.9A)
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.1A)
None
0.93A92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 10GLN A 111
ARG A 142
PHE A 151
LEU A 155
GLU A 211
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
None
DTP  A 301 (-3.5A)
0.85A43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 10LEU A  96
GLN A 111
ARG A 142
LEU A 155
GLU A 211
DTP  A 301 (-4.6A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
None
DTP  A 301 (-3.5A)
0.78A43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 10LEU A  96
MET A  99
GLN A 111
ARG A 142
LEU A 155
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
None
0.93A43.71
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.
3QEO_A_LLTA261_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 / 10GLU A  73
LEU A  24
MET A  21
TYR A  20
GLN A  59
None
None
EDO  A1134 (-4.5A)
None
EDO  A1134 ( 3.9A)
1.18A20.44
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.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		4bop OTU
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 10VAL A 329
LEU A 388
MET A 384
LEU A 321
GLU A 338
None
1.29A18.39
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.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		4qpm MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1
(Homo
sapiens)		5 / 10VAL A1057
LEU A1054
GLN A 891
LEU A 999
GLU A1030
None
1.11A19.83
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.
3QEO_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		5u03 CTP SYNTHASE 1
(Homo
sapiens)		5 / 10GLU A 513
VAL A 463
LEU A 555
TYR A 554
PHE A 519
None
1.29A17.25
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		1hlg LIPASE, GASTRIC
(Homo
sapiens)		4 / 7GLU A 230
VAL A 226
LEU A 222
LEU A 325
None
0.87A20.63
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)
(Homo
sapiens)		4 / 7GLU A 174
LEU A 180
TYR A 221
LEU A 136
None
1.03A21.52
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)		4 / 7VAL A 647
LEU A 744
TYR A 745
LEU A 537
None
0.95A16.86
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)		4 / 7VAL A 647
LEU A 744
TYR A 745
LEU A 752
None
1.04A16.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		4 / 7GLU A  53
GLN A  97
PHE A 137
LEU A 141
DCZ  A 302 (-3.0A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
None
0.76A92.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		4 / 7GLU A  53
LEU A  82
PHE A 137
LEU A 141
DCZ  A 302 (-3.0A)
DCZ  A 302 ( 4.9A)
DCZ  A 302 (-3.8A)
None
0.99A92.02
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		2e63 KIAA1787 PROTEIN
(Homo
sapiens)		4 / 7VAL A  17
LEU A 160
PHE A  81
LEU A  88
None
0.93A24.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 7LEU A  96
TYR A 100
GLN A 111
PHE A 151
LEU A 155
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
None
0.83A43.71
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		2vkc NEDD4-BINDING
PROTEIN 2
(Homo
sapiens)		4 / 7VAL A1767
LEU A1750
TYR A1749
LEU A1693
None
0.90A21.33
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		2xy2 NEURAL CELL ADHESION
MOLECULE 2
(Homo
sapiens)		4 / 7VAL A  67
LEU A  78
TYR A  91
LEU A  32
None
1.02A19.86
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		3odc POLY [ADP-RIBOSE]
POLYMERASE 1
(Homo
sapiens)		4 / 7VAL A 137
LEU A 187
GLN A 198
LEU A 199
None
0.98A20.78
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		4fm9 DNA TOPOISOMERASE
2-ALPHA
(Homo
sapiens)		4 / 7VAL A 514
LEU A 531
TYR A 522
PHE A 556
None
1.02A16.25
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		4qxe LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4, LINKER,
VARIABLE LYMPHOCYTE
RECEPTOR B
(Eptatretus
burgeri;
Homo
sapiens)		4 / 7VAL A 404
LEU A 435
PHE A 385
LEU A 412
None
1.03A21.22
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		4u2n ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 17,NUCLEUS
ACCUMBENS-ASSOCIATED
PROTEIN 1
(Homo
sapiens)		4 / 7VAL A  60
LEU A  52
TYR A  48
LEU A  70
None
0.93A22.61
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		4wrl MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
(Homo
sapiens)		4 / 7VAL A 101
LEU A  99
TYR A  82
LEU A 111
None
0.97A22.54
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		4xmp LIGHT CHAIN OF
ANTIBODY VRC08
(Homo
sapiens)		4 / 7GLU L  17
VAL L  19
LEU L  21
TYR L  86
None
0.99A20.98
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B
(Homo
sapiens)		4 / 7VAL A 184
LEU A 180
TYR A 215
LEU A 303
None
0.98A20.23
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		5exr DNA POLYMERASE ALPHA
SUBUNIT B
(Homo
sapiens)		4 / 7VAL D 302
LEU D 272
PHE D 297
LEU D 265
None
1.05A19.15
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		5hcc COMPLEMENT C5
(Homo
sapiens)		4 / 7GLU A1249
TYR A1124
PHE A1147
LEU A1144
None
1.00A14.76
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		5i4e MYOSIN-14,ALPHA-ACTI
NIN A
(Dictyostelium
discoideum;
Homo
sapiens)		4 / 7LEU A 716
GLN A 503
PHE A 506
LEU A 532
None
0.93A13.97
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		5v5w MAM
DOMAIN-CONTAINING
GLYCOSYLPHOSPHATIDYL
INOSITOL ANCHOR
PROTEIN 1
(Homo
sapiens)		4 / 7VAL A 153
LEU A 204
TYR A 209
PHE A 231
None
0.98A19.72
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		5yew MITOFUSIN-1,MITOFUSI
N-1 FUSION PROTEIN
(Homo
sapiens)		4 / 7VAL B  78
LEU B 176
PHE B 233
LEU B 235
None
0.81A16.80