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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		1kcw CERULOPLASMIN
(Homo
sapiens)		5 / 12ILE A 578
GLN A 596
ASP A 592
PHE A 595
GLU A 575
None
1.41A13.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		11 / 12ILE A  30
GLU A  53
TRP A  58
LEU A  82
MET A  85
TYR A  86
GLN A  97
ARG A 128
ASP A 133
PHE A 137
GLU A 197
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)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
DCZ  A 302 (-3.5A)
0.43A94.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		11 / 12ILE A  30
GLU A  53
VAL A  55
TRP A  58
LEU A  82
MET A  85
TYR A  86
GLN A  97
ARG A 128
ASP A 133
PHE A 137
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
None
None
DCZ  A 302 ( 4.9A)
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
0.55A94.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 12GLU A  70
VAL A  72
TRP A  75
MET A  99
ASP A 147
None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.1A)
1.41A46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 12GLU A  70
VAL A  72
TRP A  75
MET A  99
GLN A 111
None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
1.24A46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		8 / 12ILE A  47
VAL A  72
TRP A  75
LEU A  96
MET A  99
TYR A 100
ASP A 147
PHE A 151
DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
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)
0.85A46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		10 / 12ILE A  47
VAL A  72
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
GLU A 211
DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
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)
DTP  A 301 (-3.5A)
0.81A46.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		2ocp DEOXYGUANOSINE
KINASE
(Homo
sapiens)		5 / 12VAL A  72
LEU A  96
MET A  99
TYR A 100
ARG A 118
DTP  A 301 (-4.1A)
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-3.1A)
1.42A46.62
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		3tac LIPRIN-ALPHA-2
(Homo
sapiens)		5 / 12ILE B 943
VAL B 903
TRP B 906
LEU B 907
MET B 913
None
1.19A23.88
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL
(Homo
sapiens)		5 / 12ILE w  66
LEU w 114
GLN w 132
ARG w 161
ASP w 166
None
1.06A23.33
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.
1P5Z_B_AR3B304_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
1.11A23.33
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.
1P5Z_B_AR3B304_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
ASP w 166
GLU w 226
None
1.17A23.33
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		4b93 ANKYRIN REPEAT
DOMAIN-CONTAINING
PROTEIN 27
VESICLE-ASSOCIATED
MEMBRANE PROTEIN 7
(Homo
sapiens;
Mus
musculus)		4 / 6ALA A 131
GLN A 132
LYS A 128
ASP B 679
None
1.27A21.63
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		4uow OBSCURIN
TITIN
(Homo
sapiens)		4 / 6ALA 1  94
GLN 1  79
GLN 1  47
ASP 0  13
None
1.31A21.98
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		5all SOLUBLE EPOXIDE
HYDROLASE
(Homo
sapiens)		4 / 6ALA A 282
GLN A 283
GLN A 138
ASP A 134
None
1.27A16.06
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		5all SOLUBLE EPOXIDE
HYDROLASE
(Homo
sapiens)		4 / 6ALA A 284
GLN A 283
GLN A 138
ASP A 134
None
1.36A16.06
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2
(Homo
sapiens)		4 / 6ALA I 351
GLN I 352
LYS I 371
GLN I 450
None
1.43A11.27
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		4 / 6ALA A 571
GLN A 372
LYS A 375
GLN A 371
None
1.16A16.34
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.
5Y9A_A_AR3A201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ejb XYLOSYLTRANSFERASE 1
(Homo
sapiens)		4 / 6ALA A 338
GLN A 341
GLN A 606
ASP A 693
None
1.09A17.26