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.
4AFG_B_QMRB1214_1
(CAPITELLA TELETA
ACHBP)		3sop NEURONAL-SPECIFIC
SEPTIN-3
(Homo
sapiens)		5 / 9ILE A 124
ILE A 142
PHE A 192
TYR A 176
CYH A 174
None
1.47A22.42
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.
4AFG_B_QMRB1214_1
(CAPITELLA TELETA
ACHBP)		4amt RENIN
(Homo
sapiens)		5 / 9ILE A 180
PHE A 162
PHE A 167
TRP A  88
TYR A  58
None
1.48A19.13
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.
4AFG_B_QMRB1214_1
(CAPITELLA TELETA
ACHBP)		5cyp SEPTIN-9
(Homo
sapiens)		5 / 9ILE A  86
ILE A 104
PHE A 154
TYR A 138
CYH A 136
None
1.50A24.11
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		2nmm 14 KDA
PHOSPHOHISTIDINE
PHOSPHATASE
(Homo
sapiens)		4 / 8VAL A  60
CYH A  69
ILE A  25
ILE A   9
None
1.04A19.72
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		3fe2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX5
(Homo
sapiens)		4 / 8VAL A 183
TYR A 190
CYH A 191
ILE A 220
None
1.06A19.10
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		3iuy PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX53
(Homo
sapiens)		4 / 8VAL A 273
CYH A 214
ILE A 257
ILE A 264
None
0.98A22.93
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A
(Homo
sapiens)		4 / 8VAL A 491
TYR A 538
ILE A 512
ILE A 489
None
0.96A19.24
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		4f7h FERMITIN FAMILY
HOMOLOG 2
(Homo
sapiens)		4 / 8TYR A 395
CYH A 397
ILE A 441
ILE A 404
None
1.04A22.22
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		4ixu ARGINASE-2,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8VAL A 164
CYH A 187
ILE A 193
ILE A 127
None
0.98A22.26
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1
(Clostridium
pasteurianum;
Homo
sapiens)		4 / 8VAL A 173
CYH A 144
ILE A 169
ILE A 171
None
Y01  A1104 (-3.6A)
None
Y01  A1104 ( 4.6A)
0.99A19.29
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		5b7a SMALL
UBIQUITIN-RELATED
MODIFIER 1
(Homo
sapiens)		4 / 8VAL A  90
TYR A  91
ILE A  88
ILE A  27
None
1.04A20.00
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		5jpn COMPLEMENT C4-A
(Homo
sapiens)		4 / 8VAL A 282
TYR A 339
ILE A 312
ILE A 245
None
0.94A16.93
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		5nkp KELCH-LIKE PROTEIN 3
(Homo
sapiens)		4 / 8VAL A 302
TYR A 540
CYH A 533
ILE A 583
None
0.89A19.93
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6ces RAS-RELATED
GTP-BINDING PROTEIN
A
(Homo
sapiens)		4 / 8VAL A  87
CYH A 109
ILE A  89
ILE A 122
None
1.01A17.86
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1sko MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1 INTERACTING
PROTEIN 1
(Homo
sapiens)		4 / 8VAL A  24
TYR A  11
VAL A  91
ILE A  34
None
1.17A20.87
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1wf1 RNA-BINDING PROTEIN
RALY
(Homo
sapiens)		4 / 8TYR A  69
VAL A  79
TYR A  52
ILE A  32
None
1.10A16.44
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2i4k SORTING NEXIN-1
(Homo
sapiens)		4 / 8TYR A 104
TYR A  53
VAL A  81
ILE A  76
None
0.71A20.98
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2yu1 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1A
(Homo
sapiens)		4 / 8VAL A 230
TYR A 274
VAL A 286
ILE A 268
None
None
AKG  A 701 (-4.2A)
None
1.15A18.81
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3pvl MYOSIN VIIA ISOFORM
1
USHER SYNDROME
TYPE-1G PROTEIN
(Homo
sapiens;
Mus
musculus)		4 / 8VAL A1309
CYH A1326
VAL B 316
ILE A1303
None
1.01A17.64
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		4jzn ANTI-HCV E2 FAB
HC84-1 HEAVY CHAIN
ANTI-HCV E2 FAB
HC84-1 LIGHT CHAIN
(Homo
sapiens)		4 / 8TYR A  95
TRP A 109
VAL B  44
VAL B  46
None
1.15A22.51
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5esa ANTI-HCV E2
GLYCOPROTEIN FAB
HEAVY CHAIN
ANTI-HCV E2
GLYCOPROTEIN FAB
LIGHT CHAIN
(Homo
sapiens)		4 / 8TYR A  95
TRP A 109
VAL B  44
VAL B  46
None
1.14A24.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AFT_D_QMRD301_1
(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)
0.48A31.39
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.
4AFT_D_QMRD301_1
(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)
0.57A19.00
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5wvo DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1
(Homo
sapiens)		4 / 8VAL C 513
TYR C 507
VAL C 561
ILE C 466
None
1.06A22.61
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1
(Homo
sapiens)		4 / 8VAL A 788
TYR A 797
CYH A 785
VAL A 849
None
1.13A15.35