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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
1wf1 RNA-BINDING PROTEIN
RALY
(Homo
sapiens)
4 / 8TYR A  69
VAL A  79
TYR A  52
ILE A  32
None
1.08A16.44
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2vfk AKAP18 DELTA
(Homo
sapiens)
4 / 8TYR A 280
CYH A 268
CYH A 282
TYR A 279
None
1.17A17.83
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX
(Homo
sapiens)
4 / 8VAL A3927
TYR A3942
CYH A3913
ILE A3856
None
1.33A20.17
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 8TYR A 654
VAL A 649
TYR A 651
TYR A1013
None
1.26A17.10
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3fe2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX5
(Homo
sapiens)
4 / 8VAL A 183
TYR A 190
CYH A 191
ILE A 220
None
1.33A20.99
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3ihy PHOSPHATIDYLINOSITOL
3-KINASE CATALYTIC
SUBUNIT TYPE 3
(Homo
sapiens)
4 / 8TYR A 858
TYR A 737
CYH A 733
ILE A 863
None
1.25A16.84
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3j4r A-KINASE ANCHOR
PROTEIN 18
(Homo
sapiens)
4 / 8TYR A 280
CYH A 268
CYH A 282
TYR A 279
None
1.24A19.84
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3v70 GTPASE IMAP FAMILY
MEMBER 1
(Homo
sapiens)
4 / 8VAL A 135
TYR A 105
CYH A 104
ILE A  86
None
1.26A20.08
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4d10 COP9 SIGNALOSOME
COMPLEX SUBUNIT 3
(Homo
sapiens)
4 / 8TYR C 176
CYH C 146
TYR C 184
ILE C 128
None
1.32A19.39
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4wwr LARGE PROLINE-RICH
PROTEIN BAG6
UBIQUITIN-LIKE
PROTEIN 4A
(Homo
sapiens;
Homo
sapiens)
4 / 8TYR B 123
TRP B  96
TYR A1092
ILE B  99
None
1.22A16.15
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens)
4 / 8VAL A1923
TYR A1904
CYH A1901
ILE A1921
None
1.22A10.51
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
4zwj CHIMERA PROTEIN OF
HUMAN RHODOPSIN,
MOUSE S-ARRESTIN,
AND T4 ENDOLYSIN
(Homo
sapiens;
Mus
musculus;
Escherichia
virus
T4)
4 / 8VAL A 130
TYR A 223
CYH A 222
ILE A 218
None
1.31A13.67
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A
(Homo
sapiens)
4 / 8VAL A3927
TYR A3942
CYH A3913
ILE A3856
None
1.16A23.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2
(Homo
sapiens)
4 / 8TYR A 122
TRP A 178
TYR A 219
TYR A 226
EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
0.58A31.39
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)
4 / 8TYR A 759
VAL A 699
TYR A 692
TYR A 297
None
1.31A17.03
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA
(Homo
sapiens)
4 / 8TYR A 275
CYH A 263
CYH A 277
TYR A 274
MLI  A 303 ( 4.5A)
None
None
None
1.21A17.99
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens)
4 / 8TYR A 100
TRP A 156
TYR A 197
TYR A 204
NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
0.66A19.00
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D
(Homo
sapiens)
4 / 8TYR B 370
VAL B 750
TYR B 431
ILE B 691
None
1.26A14.32
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5t00 TRANSCRIPTIONAL
REPRESSOR CTCF
(Homo
sapiens)
4 / 8TYR A 358
CYH A 353
CYH A 356
ILE A 370
None
ZN  A 502 (-2.2A)
ZN  A 502 (-2.3A)
None
1.23A19.72
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5uhp O-GLCNACASE
TIM-BARREL DOMAIN
(Homo
sapiens)
4 / 8TYR A 374
CYH A  62
TYR A 296
ILE A 304
None
1.30A17.01
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM
(Homo
sapiens)
4 / 8VAL A 923
TYR A 904
CYH A 901
ILE A 921
None
1.11Aundetectable
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.
5SYO_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR, NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-3 CHIMERA)
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE
(Homo
sapiens)
5 / 10TRP B1393
MET B1367
ILE B1364
TYR B1378
CYH B1376
None
1.11A8.40
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.
5SYO_E_C5EE301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR, NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-3 CHIMERA)
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE
(Homo
sapiens)
5 / 10TRP B1393
MET B1367
ILE B1364
TYR B1378
CYH B1376
None
1.08A8.40