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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1ax8 OBESITY PROTEIN
(Homo
sapiens)		4 / 6TYR A  61
MET A  68
ILE A  64
SER A 132
None
1.18A19.30
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1b9o PROTEIN
(ALPHA-LACTALBUMIN)
(Homo
sapiens)		4 / 6TYR A  50
ILE A  41
SER A  64
SER A  63
None
1.16A22.37
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1dql IGM MEZ
IMMUNOGLOBULIN
(Homo
sapiens)		4 / 6GLN L  90
MET L   4
ILE L  29
SER H 105
None
1.34A19.91
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1h7c TUBULIN-SPECIFIC
CHAPERONE A
(Homo
sapiens)		4 / 6GLN A  53
MET A  40
ILE A  37
SER A  60
None
1.33A17.67
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1hml ALPHA-LACTALBUMIN
(Homo
sapiens)		4 / 6TYR A  50
ILE A  41
SER A  64
SER A  63
None
1.30A21.72
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1tki TITIN
(Homo
sapiens)		4 / 6TYR A  50
ILE A  96
SER A  45
SER A  46
None
0.93A21.15
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE
(Homo
sapiens)		4 / 6GLN A 300
ILE A 297
SER A 210
SER A 209
None
None
CL  A1437 ( 4.6A)
FAD  A1433 (-2.8A)
1.34A22.64
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3b6u KINESIN-LIKE PROTEIN
KIF3B
(Homo
sapiens)		4 / 6TYR A 138
ILE A 223
SER A 131
SER A 133
None
1.27A20.64
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3cii NATURAL KILLER CELLS
ANTIGEN CD94
(Homo
sapiens)		4 / 6TYR G 115
ILE G 173
SER G 110
SER G 111
None
1.21A17.39
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3p30 1281 FAB HEAVY CHAIN
HIV-1 GP41
(Homo
sapiens;
Human
immunodeficiency
virus
1)		4 / 6TYR A 643
GLN A 650
ILE A 646
SER H 100
None
1.00A19.60
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		4y7i MYOTUBULARIN-RELATED
PROTEIN 8
(Homo
sapiens)		4 / 6GLN A 401
MET A 279
ILE A 398
SER A 350
None
1.14A20.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PMZ_E_TUBE220_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 / 6TYR A  55
GLN A  57
MET A 116
ILE A 118
SER A 167
None
1.02A81.22
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5c16 MYOTUBULARIN-RELATED
PROTEIN 1
(Homo
sapiens)		4 / 6GLN A 503
MET A 380
ILE A 500
SER A 450
None
1.20A18.15
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5cni METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)		4 / 6GLN A 191
MET A 195
ILE A 317
SER A 376
None
1.13A18.31
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5gs2 ANTI-MBP
REPEBODY
(Escherichia
coli;
Homo
sapiens)		4 / 6GLN H 222
MET H 136
ILE H 134
SER B 123
None
1.27A20.31
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5gs2 ANTI-MBP
REPEBODY
(Escherichia
coli;
Homo
sapiens)		4 / 6GLN H 222
MET H 136
ILE H 134
SER B 123
None
1.27A20.31
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5lzk PROTEIN FAM83B
(Homo
sapiens)		4 / 6TYR A 244
MET A 142
ILE A 139
SER A 256
None
None
EDO  A 307 ( 4.9A)
None
1.27A22.61
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5mev FAB HEAVY CHAIN
INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
HOMOLOG,INDUCED
MYELOID LEUKEMIA
CELL DIFFERENTIATION
PROTEIN MCL-1
(Homo
sapiens;
Mus
musculus)		4 / 6GLN A 177
ILE A 181
SER H  52
SER H  53
None
1.09A22.51
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS
(Homo
sapiens)		4 / 6GLN A 110
ILE A 115
SER A  72
SER A  75
None
1.23A15.00
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1
(Escherichia
coli;
Homo
sapiens)		4 / 6TYR A1187
GLN A 335
ILE A 178
SER A1190
None
1.19A19.68
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN
(Homo
sapiens)		4 / 6TYR A 362
GLN A 366
ILE A 390
SER A 492
None
1.32A15.60
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.
3PMZ_E_TUBE220_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3e73 LANC-LIKE PROTEIN 1
(Homo
sapiens)		4 / 7TYR A 153
CYH A 276
CYH A 322
TYR A  62
None
ZN  A 501 (-2.1A)
ZN  A 501 ( 2.1A)
None
1.45A20.76
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.
3PMZ_E_TUBE220_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3wso F-BOX ONLY PROTEIN
44
(Homo
sapiens)		4 / 7TYR A 125
TRP A 206
CYH A 170
TYR A 239
None
1.29A20.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PMZ_E_TUBE220_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA
(Homo
sapiens;
Lymnaea
stagnalis)		4 / 7TYR A  91
LYS A 141
TRP A 145
TYR A 191
None
0.82A34.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PMZ_E_TUBE220_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA
(Homo
sapiens;
Lymnaea
stagnalis)		4 / 7TYR A  91
TRP A 145
TYR A 184
TYR A 191
None
0.72A34.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PMZ_E_TUBE220_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 / 7TYR A  93
LYS A 143
TRP A 147
TYR A 188
TYR A 195
None
0.68A81.22