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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		1itu RENAL DIPEPTIDASE
(Homo
sapiens)		5 / 12ARG A 230
HIS A 152
ALA A 159
SER A  66
ASP A  22
CIL  A 451 (-4.0A)
CIL  A 451 (-4.0A)
None
ZN  A 401 ( 3.7A)
ZN  A 401 ( 2.2A)
1.36A21.69
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		1ryo SEROTRANSFERRIN
(Homo
sapiens)		5 / 12LEU A 226
LEU A 112
PHE A 204
ALA A  97
SER A 105
None
1.33A22.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		7 / 12GLN A  87
HIS A 238
GLU A 241
ALA A 248
HIS A 277
SER A 302
ASP A 328
None
ZN  A1452 (-3.2A)
None
None
None
None
ZN  A1452 (-2.8A)
0.36A94.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		6 / 12GLN A  87
HIS A 238
GLU A 241
GLU A 245
SER A 302
ASP A 328
None
ZN  A1452 (-3.2A)
None
None
None
ZN  A1452 (-2.8A)
1.06A94.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		7 / 12GLN A  87
LEU A 103
GLU A 241
ALA A 248
HIS A 277
SER A 302
ASP A 328
None
None
None
None
None
None
ZN  A1452 (-2.8A)
0.69A94.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		6 / 12GLN A  87
LEU A 103
GLU A 241
GLU A 245
SER A 302
ASP A 328
None
None
None
None
None
ZN  A1452 (-2.8A)
1.02A94.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		6 / 12LEU A  99
GLU A 241
ALA A 248
HIS A 277
SER A 302
ASP A 328
None
None
None
None
None
ZN  A1452 (-2.8A)
1.35A94.33
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens)		6 / 12HIS A 330
GLU A 333
GLU A 302
HIS A 358
SER A 385
ASP A 415
 ZN  A 512 ( 3.5A)
CFE  A 513 (-3.0A)
None
CFE  A 513 ( 4.3A)
CFE  A 513 ( 4.5A)
CFE  A 513 ( 2.8A)
0.54A21.79
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		5fn4 GAMMA-SECRETASE
SUBUNIT APH-1A
(Homo
sapiens)		5 / 12PHE C 125
HIS C 171
ALA C  89
HIS C 197
SER C 201
None
1.40A20.91
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2
(Homo
sapiens)		5 / 12HIS A 858
GLU A 836
ALA A 755
SER A 596
ASP A 594
None
1.32A23.30
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		5tzy FREE FATTY ACID
RECEPTOR
1,ENDOLYSIN,FREE
FATTY ACID RECEPTOR
1
(Escherichia
virus
T4;
Homo
sapiens)		5 / 12LEU A2262
PHE A  82
GLU A 172
GLU A  65
ALA A  63
None
1.17A23.40
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		1dmw PHENYLALANINE
HYDROXYLASE
(Homo
sapiens)		4 / 5HIS A 170
LEU A 227
LEU A 234
ASP A 229
None
1.17A21.68
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		1tvd T CELL RECEPTOR
(Homo
sapiens)		4 / 5HIS A  64
LEU A  92
LEU A 104
ASP A 102
None
1.28A14.10
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		1um1 KIAA1849 PROTEIN
(Homo
sapiens)		4 / 5HIS A  83
LEU A  25
LEU A  69
ASP A  27
None
1.31A14.20
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1
(Homo
sapiens)		4 / 5HIS A 170
LEU A 266
LEU A 231
ASP A 265
None
1.23A23.58
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		3b2d CD180 ANTIGEN
(Homo
sapiens)		4 / 5HIS A  69
LEU A 106
LEU A  79
ASP A  83
None
1.33A21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		4 / 5HIS A  84
LEU A 100
TRP A 102
ASP A 244
 ZN  A1452 (-3.1A)
None
None
None
1.04A94.33
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		3e3b CASEIN KINASE II
SUBUNIT ALPHA'
(Homo
sapiens)		4 / 5HIS X 149
LEU X 306
LEU X 223
ASP X 303
None
1.03A21.65
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		3jwe MGLL PROTEIN
(Homo
sapiens)		4 / 5HIS A 113
LEU A  80
LEU A 124
ASP A  79
None
1.32A24.44
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		4md8 CASEIN KINASE II
SUBUNIT ALPHA
(Homo
sapiens)		4 / 5HIS E 148
LEU E 305
LEU E 222
ASP E 302
None
0.97A19.50
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens)		4 / 5HIS A 158
LEU A 311
LEU A 235
ASP A 308
None
1.02A21.29
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		5a3f DYNAMIN 3
(Homo
sapiens)		4 / 5HIS A 288
LEU A  16
LEU A  29
ASP A  18
None
1.16A19.95
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		5mov CASEIN KINASE II
SUBUNIT ALPHA
(Homo
sapiens)		4 / 5HIS A 148
LEU A 305
LEU A 222
ASP A 302
None
1.00A20.04
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		5toa ESTROGEN RECEPTOR
BETA
(Homo
sapiens)		4 / 5HIS A 475
LEU A 301
LEU A 339
ASP A 303
EST  A 601 (-4.4A)
EST  A 601 ( 4.3A)
EST  A 601 (-3.9A)
None
1.25A19.96
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA
(Escherichia
coli;
Homo
sapiens)		4 / 5HIS A 414
LEU A 118
LEU A  88
ASP A  80
AQD  A1201 (-4.0A)
None
None
NA  A1224 (-3.2A)
1.23A20.49
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6b3e CYCLIN-DEPENDENT
KINASE 12
(Homo
sapiens)		4 / 5HIS A 851
LEU A1001
LEU A 926
ASP A 998
None
0.97A10.36
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3
(Homo
sapiens;
Homo
sapiens)		5 / 10ASN A 727
GLN A 611
ASN A 730
PRO A 731
ASN B 452
None
NAG  B3453 (-3.8A)
None
None
NAG  B3452 (-1.9A)
1.50A6.28