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.
3PEO_C_CU9C301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR
(Aplysia
californica;
Homo
sapiens)
5 / 12THR A  36
GLN A  38
TYR A  55
GLN A  57
SER A 167
None
1.16A82.17
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2jk7 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4
(Homo
sapiens)
4 / 7TRP A 310
TYR A 329
CYH A 327
CYH A 303
BI6  A1346 (-3.7A)
None
ZN  A1347 (-2.3A)
ZN  A1347 (-2.2A)
1.14A18.50
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2vfk AKAP18 DELTA
(Homo
sapiens)
4 / 7TYR A 280
CYH A 268
CYH A 282
TYR A 279
None
1.27A18.52
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3j4r A-KINASE ANCHOR
PROTEIN 18
(Homo
sapiens)
4 / 7TYR A 280
CYH A 268
CYH A 282
TYR A 279
None
1.34A19.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR
(Aplysia
californica;
Homo
sapiens)
4 / 7TYR A  93
TRP A 147
TYR A 188
TYR A 195
None
1.26A82.17
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA
(Homo
sapiens)
4 / 7TYR A 275
CYH A 263
CYH A 277
TYR A 274
MLI  A 303 ( 4.5A)
None
None
None
1.24A17.76
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5m6m E3 UBIQUITIN-PROTEIN
LIGASE XIAP
(Homo
sapiens)
4 / 7TRP A 310
TYR A 329
CYH A 327
CYH A 303
7H8  A 403 (-2.8A)
None
ZN  A 401 (-2.2A)
ZN  A 401 (-2.3A)
1.15A20.09
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
1dql IGM MEZ
IMMUNOGLOBULIN
(Homo
sapiens)
4 / 6GLN L  37
TYR L  86
GLN L   6
ILE L  21
None
1.27A19.82
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
1htj KIAA0380
(Homo
sapiens)
4 / 6GLN F 334
TYR F 431
GLN F 453
SER F 333
None
1.29A22.53
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
1n26 IL-6 RECEPTOR ALPHA
CHAIN
(Homo
sapiens)
4 / 6GLN A 153
TYR A 148
GLN A 147
SER A 152
None
None
NDG  A 636 (-3.9A)
None
1.04A20.06
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
1zd1 SULFOTRANSFERASE 4A1
(Homo
sapiens)
4 / 6GLN A  70
TYR A  66
GLN A  62
SER A  69
None
1.31A19.38
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2dib FILAMIN-B
(Homo
sapiens)
4 / 6THR A  82
TYR A  83
GLN A  84
SER A  48
None
1.30A20.09
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1
(Homo
sapiens)
4 / 6GLN A 298
GLN A 348
ILE A 266
SER A 299
None
1.25A15.89
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2gy7 ANGIOPOIETIN-2
(Homo
sapiens)
4 / 6THR A 364
GLN A 367
TYR A 369
ILE A 491
None
1.19A18.99
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2qho E3 UBIQUITIN-PROTEIN
LIGASE EDD1
(Homo
sapiens)
4 / 6GLN B 194
GLN B 210
ILE B 185
SER B 201
None
1.25A22.43
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2v5y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE MU
(Homo
sapiens)
4 / 6GLN A 515
TYR A 539
GLN A 558
SER A 513
None
0.77A16.62
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)
4 / 6THR A1034
TYR A1025
ILE A1017
SER A1036
None
1.27A17.01
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3rpi LIGHT CHAIN FROM
HIGHLY POTENT
ANTI-HIV
NEUTRALIZING
ANTIBODY
(Homo
sapiens)
4 / 6GLN L  36
TYR L  84
GLN L   6
ILE L  21
None
1.26A23.51
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3vw7 PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME
(Escherichia
virus
T4;
Homo
sapiens)
4 / 6THR A1034
TYR A1025
ILE A1017
SER A1036
None
1.24A17.11
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1
(Homo
sapiens)
4 / 6THR A 290
GLN A 302
ILE A 292
SER A 324
None
1.27A18.64
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)
4 / 6THR A 594
GLN A 760
TYR A 598
ILE A 675
None
1.31A21.77
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)
4 / 6THR A3212
GLN A2871
TYR A3213
ILE A2858
None
1.27A5.25
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4x4y HUMAN VARIABLE LIGHT
CHAIN OF HERCEPTIN
(Homo
sapiens)
4 / 6GLN B  37
TYR B  86
GLN B   6
ILE B  21
None
1.30A19.82
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE
(Homo
sapiens)
4 / 6THR A 141
GLN A 322
ILE A 254
SER A 139
None
1.26A20.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR
(Aplysia
californica;
Homo
sapiens)
4 / 6GLN A  38
TYR A  55
ILE A 118
SER A 167
None
1.21A82.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR
(Aplysia
californica;
Homo
sapiens)
5 / 6THR A  36
GLN A  38
GLN A  57
ILE A 118
SER A 167
None
0.77A82.17
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4zwj CHIMERA PROTEIN OF
HUMAN RHODOPSIN,
MOUSE S-ARRESTIN,
AND T4 ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens;
Mus
musculus)
4 / 6THR A1034
TYR A1025
ILE A1017
SER A1036
None
1.24A14.57
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5d9q NIH45-46 SINGLE
CHAIN FV
(Homo
sapiens)
4 / 6GLN D 235
TYR D 284
GLN D 206
ILE D 221
None
1.27A19.61
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5kan 16.G.07 LIGHT CHAIN
(Homo
sapiens)
4 / 6GLN I  89
TYR I  36
GLN I  38
SER I  98
None
1.23A22.14
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5v88 LYSOZYME,DCN1-LIKE
PROTEIN 1
(Escherichia
virus
T4;
Homo
sapiens)
4 / 6THR A  34
TYR A  25
ILE A  17
SER A  36
None
1.24A18.02
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5y2z LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1
(Homo
sapiens)
4 / 6THR B 545
GLN B 230
ILE B 547
SER B 236
None
1.28A15.53
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens)
4 / 6THR A1034
TYR A1025
ILE A1017
SER A1036
None
1.26A16.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PEO_H_CU9H301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR
(Aplysia
californica;
Homo
sapiens)
5 / 12THR A  36
GLN A  38
TYR A  55
GLN A  57
SER A 167
None
1.16A82.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PEO_J_CU9J301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR
(Aplysia
californica;
Homo
sapiens)
5 / 11THR A  36
GLN A  38
GLN A  57
ILE A 118
SER A 167
None
0.61A82.17