SIMILAR PATTERNS OF AMINO ACIDS FOR 2ACE_A_ACHA998_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 GLY A 106
GLY A 107
SER A 194
ALA A 195
HIS A 435
 None
 0.95A 2aceA-1aqlA:
53.0		 2aceA-1aqlA:
33.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 GLY A 107
SER A 194
ALA A 195
TRP A 227
HIS A 435
 None
 0.64A 2aceA-1aqlA:
53.0		 2aceA-1aqlA:
33.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 120
GLY A 121
SER A 203
ALA A 204
HIS A 447
 None
 0.88A 2aceA-1b41A:
59.5		 2aceA-1b41A:
57.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		6 GLY A 121
GLY A 122
SER A 203
ALA A 204
PHE A 338
HIS A 447
 None
 1.01A 2aceA-1b41A:
59.5		 2aceA-1b41A:
57.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		8 GLY A 121
GLY A 122
SER A 203
ALA A 204
TRP A 236
PHE A 295
PHE A 297
HIS A 447
 None
 0.43A 2aceA-1b41A:
59.5		 2aceA-1b41A:
57.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		6 GLY A 120
SER A 203
ALA A 204
TRP A 236
PHE A 295
HIS A 447
 None
 1.23A 2aceA-1c2oA:
59.8		 2aceA-1c2oA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		6 GLY A 121
GLY A 122
SER A 203
ALA A 204
PHE A 338
HIS A 447
 None
 1.03A 2aceA-1c2oA:
59.8		 2aceA-1c2oA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		8 GLY A 121
GLY A 122
SER A 203
ALA A 204
TRP A 236
PHE A 295
PHE A 297
HIS A 447
 None
 0.43A 2aceA-1c2oA:
59.8		 2aceA-1c2oA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		5 GLY A 105
GLY A 106
SER A 189
ALA A 190
HIS A 399
 None
 0.85A 2aceA-1c7jA:
45.4		 2aceA-1c7jA:
32.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		7 GLY A 123
GLY A 124
SER A 209
ALA A 210
PHE A 345
PHE A 296
HIS A 449
 CLL  A 801 (-3.3A)
CLL  A 801 (-3.3A)
CLL  A 801 ( 2.8A)
CLL  A 801 (-4.0A)
CLL  A 801 ( 4.9A)
CLL  A 801 (-3.7A)
CLL  A 801 (-4.8A)
 1.32A 2aceA-1cleA:
44.6		 2aceA-1cleA:
31.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		7 GLY A 123
GLY A 124
SER A 209
ALA A 210
PHE A 345
PHE A 296
HIS A 449
 None
 1.30A 2aceA-1crlA:
41.1		 2aceA-1crlA:
32.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 124
SER A 209
ALA A 210
PHE A 344
HIS A 449
 None
 0.75A 2aceA-1crlA:
41.1		 2aceA-1crlA:
32.35
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 GLY A  82
GLY A  83
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.92A 2aceA-1evqA:
4.1		 2aceA-1evqA:
23.45
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		6 GLY A  83
GLY A  84
SER A 155
ALA A 156
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.82A 2aceA-1evqA:
4.1		 2aceA-1evqA:
23.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 GLY A 117
GLY A 118
SER A 200
ALA A 201
HIS A 440
 SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-3.6A)
EMM  A1999 ( 3.8A)
 0.95A 2aceA-1gqrA:
69.0		 2aceA-1gqrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		7 GLY A 118
GLY A 119
SER A 200
ALA A 201
PHE A 331
PHE A 290
HIS A 440
 SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-3.6A)
EMM  A1999 (-4.7A)
EMM  A1999 (-4.1A)
EMM  A1999 ( 3.8A)
 1.06A 2aceA-1gqrA:
69.0		 2aceA-1gqrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		9 GLY A 118
GLY A 119
SER A 200
ALA A 201
TRP A 233
PHE A 288
PHE A 290
PHE A 330
HIS A 440
 SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-3.6A)
EMM  A1999 (-4.0A)
EMM  A1999 (-4.3A)
EMM  A1999 (-4.1A)
SAF  A1998 (-3.1A)
EMM  A1999 ( 3.8A)
 0.73A 2aceA-1gqrA:
69.0		 2aceA-1gqrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 122
GLY A 123
SER A 209
ALA A 210
HIS A 449
 None
 0.92A 2aceA-1gz7A:
43.0		 2aceA-1gz7A:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		6 GLY A 123
GLY A 124
SER A 209
ALA A 210
PHE A 345
HIS A 449
 None
 0.87A 2aceA-1gz7A:
43.0		 2aceA-1gz7A:
30.66
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		6 GLY A  88
GLY A  89
SER A 160
ALA A 161
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 0.99A 2aceA-1jjiA:
4.1		 2aceA-1jjiA:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 106
GLY A 107
SER A 194
ALA A 195
HIS A 435
 None
 0.85A 2aceA-1jmyA:
53.4		 2aceA-1jmyA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 107
SER A 194
ALA A 195
TRP A 227
HIS A 435
 None
 0.34A 2aceA-1jmyA:
53.4		 2aceA-1jmyA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		5 GLY A 142
GLY A 143
SER A 221
ALA A 222
HIS A 467
 None
 0.76A 2aceA-1k4yA:
52.6		 2aceA-1k4yA:
36.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 GLY A 149
GLY A 150
SER A 238
ALA A 239
HIS A 480
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.1A)
 0.84A 2aceA-1qonA:
61.0		 2aceA-1qonA:
37.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 GLY A 149
GLY A 150
SER A 238
ALA A 239
PHE A 371
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
I40  A 997 (-4.9A)
 0.94A 2aceA-1qonA:
61.0		 2aceA-1qonA:
37.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 GLY A 150
GLY A 151
SER A 238
ALA A 239
PHE A 371
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
I40  A 997 (-4.9A)
 0.77A 2aceA-1qonA:
61.0		 2aceA-1qonA:
37.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		7 GLY A 150
GLY A 151
SER A 238
ALA A 239
TRP A 271
PHE A 330
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.4A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.1A)
 0.38A 2aceA-1qonA:
61.0		 2aceA-1qonA:
37.69
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 GLY A 126
GLY A 127
SER A 210
ALA A 211
HIS A 440
 EDO  A1902 ( 4.3A)
EDO  A1902 (-3.6A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.0A)
EDO  A1902 ( 4.9A)
 0.95A 2aceA-1ukcA:
38.8		 2aceA-1ukcA:
29.59
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 GLY A 127
GLY A 128
SER A 210
ALA A 211
HIS A 440
 EDO  A1902 (-3.6A)
EDO  A1902 (-3.4A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.0A)
EDO  A1902 ( 4.9A)
 0.47A 2aceA-1ukcA:
38.8		 2aceA-1ukcA:
29.59
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 GLY A 127
GLY A 128
SER A 210
ALA A 211
PHE A 342
 EDO  A1902 (-3.6A)
EDO  A1902 (-3.4A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.0A)
EDO  A1902 (-4.3A)
 0.75A 2aceA-1ukcA:
38.8		 2aceA-1ukcA:
29.59
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 GLY A  81
GLY A  82
SER A 154
ALA A 155
HIS A 281
 None
 0.92A 2aceA-2c7bA:
19.2		 2aceA-2c7bA:
21.76
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		6 GLY A  82
GLY A  83
SER A 154
ALA A 155
PHE A 214
HIS A 281
 None
 0.80A 2aceA-2c7bA:
19.2		 2aceA-2c7bA:
21.76
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 GLY A 145
GLY A 146
SER A 226
ALA A 227
HIS A 471
 TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
 0.94A 2aceA-2fj0A:
49.1		 2aceA-2fj0A:
29.29
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		6 GLY A 145
GLY A 146
SER A 226
ALA A 227
PHE A 150
PHE A 458
 TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
None
None
 1.08A 2aceA-2fj0A:
49.1		 2aceA-2fj0A:
29.29
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 GLY A 146
GLY A 147
SER A 226
ALA A 227
HIS A 471
 TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
 0.70A 2aceA-2fj0A:
49.1		 2aceA-2fj0A:
29.29
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 GLY A  91
GLY A  92
SER A 169
ALA A 170
HIS A 306
 4PA  A 369 ( 3.8A)
4PA  A 369 (-3.5A)
4PA  A 369 (-1.8A)
4PA  A 369 (-3.2A)
4PA  A 369 (-4.8A)
 0.93A 2aceA-2o7rA:
19.2		 2aceA-2o7rA:
21.81
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 GLY A  92
GLY A  93
SER A 169
ALA A 170
HIS A 306
 4PA  A 369 (-3.5A)
4PA  A 369 (-3.6A)
4PA  A 369 (-1.8A)
4PA  A 369 (-3.2A)
4PA  A 369 (-4.8A)
 0.47A 2aceA-2o7rA:
19.2		 2aceA-2o7rA:
21.81
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.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		5 GLY A  70
GLY A  71
SER A 136
ALA A 137
HIS A 241
 UNL  A 263 ( 4.2A)
UNL  A 263 (-4.1A)
UNL  A 263 (-3.7A)
None
UNL  A 263 (-4.3A)
 0.78A 2aceA-2pblA:
17.8		 2aceA-2pblA:
18.55
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		5 GLY A  34
GLY A  35
SER A 102
ALA A 103
HIS A 247
 PO4  A 273 (-3.3A)
PO4  A 273 (-3.5A)
PO4  A 273 (-2.3A)
PO4  A 273 (-3.5A)
PO4  A 273 (-4.0A)
 0.46A 2aceA-2qruA:
3.3		 2aceA-2qruA:
17.05
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A  84
GLY A  85
SER A 157
ALA A 158
HIS A 284
 None
 0.91A 2aceA-2yh2A:
4.6		 2aceA-2yh2A:
21.93
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		6 GLY A  85
GLY A  86
SER A 157
ALA A 158
PHE A 217
HIS A 284
 None
 0.88A 2aceA-2yh2A:
4.6		 2aceA-2yh2A:
21.93
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 GLY A  78
GLY A  79
SER A 150
ALA A 151
HIS A 273
 DEP  A 304 ( 3.8A)
DEP  A 304 (-3.6A)
DEP  A 304 (-1.5A)
DEP  A 304 (-3.5A)
DEP  A 304 (-4.1A)
 0.89A 2aceA-3ailA:
4.8		 2aceA-3ailA:
22.43
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		7 GLY A  79
GLY A  80
SER A 150
ALA A 151
PHE A 206
PHE A 197
HIS A 273
 DEP  A 304 (-3.6A)
DEP  A 304 (-3.5A)
DEP  A 304 (-1.5A)
DEP  A 304 (-3.5A)
DEP  A 304 (-4.5A)
None
DEP  A 304 (-4.1A)
 0.86A 2aceA-3ailA:
4.8		 2aceA-3ailA:
22.43
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.
3hxk SUGAR HYDROLASE

(Lactococcus
lactis) 		PF00326
(Peptidase_S9) 		5 GLY A  52
GLY A  53
SER A 127
ALA A 128
HIS A 231
 None
 0.63A 2aceA-3hxkA:
15.5		 2aceA-3hxkA:
20.91
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.
3k6k ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  88
GLY A  89
SER A 157
ALA A 158
HIS A 281
 None
 0.94A 2aceA-3k6kA:
4.4		 2aceA-3k6kA:
21.92
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.
3k6k ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  89
GLY A  90
SER A 157
ALA A 158
HIS A 281
 None
 0.47A 2aceA-3k6kA:
4.4		 2aceA-3k6kA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A1141
GLY A1142
SER A1221
ALA A1222
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-2.9A)
None
 0.82A 2aceA-3k9bA:
53.5		 2aceA-3k9bA:
37.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A1142
GLY A1143
SER A1221
ALA A1222
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-2.9A)
None
 0.45A 2aceA-3k9bA:
53.5		 2aceA-3k9bA:
37.06
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.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		5 GLY A  90
GLY A  91
SER A 162
ALA A 163
HIS A 284
 None
 0.85A 2aceA-3qh4A:
4.5		 2aceA-3qh4A:
22.69
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.
3v9a ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  75
GLY A  76
SER A 144
ALA A 145
HIS A 268
 None
 0.86A 2aceA-3v9aA:
4.4		 2aceA-3v9aA:
20.19
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.
3v9a ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  76
GLY A  77
SER A 144
ALA A 145
HIS A 268
 None
 0.50A 2aceA-3v9aA:
4.4		 2aceA-3v9aA:
20.19
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		6 GLY A  84
GLY A  85
SER A 156
ALA A 157
PHE A  89
HIS A 281
 None
 1.15A 2aceA-3wj2A:
4.6		 2aceA-3wj2A:
19.78
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 GLY A  85
GLY A  86
SER A 156
ALA A 157
HIS A 281
 None
 0.43A 2aceA-3wj2A:
4.6		 2aceA-3wj2A:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		5 GLY A 133
GLY A 134
SER A 220
ALA A 221
HIS A 465
 None
PGE  A1554 ( 4.7A)
1PE  A1553 (-2.9A)
1PE  A1553 (-3.5A)
None
 0.87A 2aceA-4be9A:
42.4		 2aceA-4be9A:
32.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		6 GLY A 134
GLY A 135
SER A 220
ALA A 221
PHE A 356
HIS A 465
 PGE  A1554 ( 4.7A)
1PE  A1553 (-3.3A)
1PE  A1553 (-2.9A)
1PE  A1553 (-3.5A)
None
None
 0.92A 2aceA-4be9A:
42.4		 2aceA-4be9A:
32.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		5 GLY A 135
GLY A 136
SER A 218
ALA A 219
HIS A 471
 DPF  A 601 ( 3.8A)
DPF  A 601 (-3.4A)
DPF  A 601 (-1.5A)
DPF  A 601 (-3.3A)
DPF  A 601 (-4.2A)
 0.87A 2aceA-4fnmA:
10.7		 2aceA-4fnmA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		6 GLY A 136
GLY A 137
ALA A 219
TRP A 251
PHE A 309
PHE A   3
 DPF  A 601 (-3.4A)
DPF  A 601 (-3.7A)
DPF  A 601 (-3.3A)
DPF  A 601 ( 3.7A)
None
None
 1.37A 2aceA-4fnmA:
10.7		 2aceA-4fnmA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		7 GLY A 136
GLY A 137
SER A 218
ALA A 219
TRP A 251
PHE A 309
HIS A 471
 DPF  A 601 (-3.4A)
DPF  A 601 (-3.7A)
DPF  A 601 (-1.5A)
DPF  A 601 (-3.3A)
DPF  A 601 ( 3.7A)
None
DPF  A 601 (-4.2A)
 0.72A 2aceA-4fnmA:
10.7		 2aceA-4fnmA:
30.65
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.
4ghn UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF03572
(Peptidase_S41) 		5 GLY A 278
GLY A 279
SER A 327
ALA A 328
HIS A 115
 None
 0.90A 2aceA-4ghnA:
undetectable		 2aceA-4ghnA:
20.65
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.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 5 GLY A  76
GLY A  77
SER A 163
ALA A 164
HIS A 451
 EGR  A 501 (-3.3A)
EGR  A 501 (-3.3A)
EGR  A 501 (-2.6A)
EGR  A 501 (-3.7A)
EGR  A 501 (-3.8A)
 0.55A 2aceA-4j0kA:
19.1		 2aceA-4j0kA:
22.47
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.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		5 GLY X  74
GLY X  75
SER X 146
ALA X 147
HIS X 278
 2HD  X 401 (-3.9A)
2HD  X 401 (-3.5A)
2HD  X 401 (-1.7A)
2HD  X 401 (-3.4A)
2HD  X 401 (-3.5A)
 0.87A 2aceA-4n5iX:
19.7		 2aceA-4n5iX:
22.08
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.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		5 GLY X  75
GLY X  76
SER X 146
ALA X 147
HIS X 278
 2HD  X 401 (-3.5A)
2HD  X 401 (-3.6A)
2HD  X 401 (-1.7A)
2HD  X 401 (-3.4A)
2HD  X 401 (-3.5A)
 0.45A 2aceA-4n5iX:
19.7		 2aceA-4n5iX:
22.08
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.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		5 GLY A  87
GLY A  88
PHE A 216
PHE A 207
HIS A 286
 None
 0.92A 2aceA-4ou4A:
18.4		 2aceA-4ou4A:
20.07
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 GLY A  79
GLY A  80
SER A 151
ALA A 152
HIS A 274
 None
 0.93A 2aceA-4p9nA:
4.7		 2aceA-4p9nA:
22.08
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		7 GLY A  80
GLY A  81
SER A 151
ALA A 152
PHE A 206
PHE A 197
HIS A 274
 None
 0.85A 2aceA-4p9nA:
4.7		 2aceA-4p9nA:
22.08
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.
4q3k MGS-M1

(unidentified) 		PF00326
(Peptidase_S9)
PF07859
(Abhydrolase_3) 		5 GLY A  41
GLY A  42
SER A 113
ALA A 114
HIS A 201
 F  A 302 ( 4.2A)
F  A 302 (-3.9A)
F  A 302 (-2.5A)
F  A 302 (-3.6A)
None
 0.90A 2aceA-4q3kA:
4.3		 2aceA-4q3kA:
19.77
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.
4q3k MGS-M1

(unidentified) 		PF00326
(Peptidase_S9)
PF07859
(Abhydrolase_3) 		5 GLY A  42
GLY A  43
SER A 113
ALA A 114
HIS A 201
 F  A 302 (-3.9A)
F  A 302 (-3.4A)
F  A 302 (-2.5A)
F  A 302 (-3.6A)
None
 0.40A 2aceA-4q3kA:
4.3		 2aceA-4q3kA:
19.77
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.
4q3o MGS-MT1

(unidentified) 		PF07859
(Abhydrolase_3) 		5 GLY A 126
GLY A 127
SER A 194
ALA A 195
HIS A 320
 CL  A 401 ( 4.4A)
CL  A 401 (-3.5A)
CL  A 401 (-2.5A)
CL  A 401 ( 4.8A)
None
 0.94A 2aceA-4q3oA:
4.4		 2aceA-4q3oA:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		5 GLY A 117
GLY A 118
SER A 200
ALA A 201
HIS A 440
 None
 0.85A 2aceA-4qwwA:
64.0		 2aceA-4qwwA:
65.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		6 GLY A 117
SER A 200
ALA A 201
TRP A 233
PHE A 288
HIS A 440
 None
 1.11A 2aceA-4qwwA:
64.0		 2aceA-4qwwA:
65.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		6 GLY A 118
GLY A 119
SER A 200
ALA A 201
PHE A 331
HIS A 440
 None
 1.04A 2aceA-4qwwA:
64.0		 2aceA-4qwwA:
65.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		8 GLY A 118
GLY A 119
SER A 200
ALA A 201
TRP A 233
PHE A 288
PHE A 290
HIS A 440
 None
 0.36A 2aceA-4qwwA:
64.0		 2aceA-4qwwA:
65.13
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.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		6 GLY A  89
GLY A  90
SER A 161
ALA A 162
PHE A 221
HIS A 292
 None
 0.90A 2aceA-4wy5A:
4.9		 2aceA-4wy5A:
21.10
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  89
GLY A  90
SER A 164
ALA A 165
HIS A 291
 None
 0.92A 2aceA-4wy8A:
5.1		 2aceA-4wy8A:
21.53
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		6 GLY A  90
GLY A  91
SER A 164
ALA A 165
PHE A 221
HIS A 291
 None
 0.86A 2aceA-4wy8A:
5.1		 2aceA-4wy8A:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 115
GLY A 116
SER A 198
ALA A 199
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
None
40V  A1001 (-3.6A)
 0.85A 2aceA-4xiiA:
65.2		 2aceA-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		6 GLY A 116
GLY A 117
SER A 198
ALA A 199
TRP A 231
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 0.47A 2aceA-4xiiA:
65.2		 2aceA-4xiiA:
52.77
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		6 GLY A  86
GLY A  87
SER A 159
ALA A 160
PHE A 207
HIS A 283
 None
 1.07A 2aceA-4ypvA:
2.2		 2aceA-4ypvA:
21.44
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		6 GLY A  86
SER A 159
ALA A 160
PHE A 216
PHE A 207
HIS A 283
 None
 1.14A 2aceA-4ypvA:
2.2		 2aceA-4ypvA:
21.44
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		7 GLY A  87
GLY A  88
SER A 159
ALA A 160
PHE A 216
PHE A 207
HIS A 283
 None
 0.84A 2aceA-4ypvA:
2.2		 2aceA-4ypvA:
21.44
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A  52
GLY A  53
SER A 126
ALA A 127
HIS A 248
 LEA  A1283 ( 4.0A)
LEA  A1283 (-3.4A)
LEA  A1283 (-2.3A)
LEA  A1283 (-3.6A)
LEA  A1283 (-4.0A)
 0.91A 2aceA-5aocA:
18.4		 2aceA-5aocA:
20.56
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A  53
GLY A  54
SER A 126
ALA A 127
HIS A 248
 LEA  A1283 (-3.4A)
LEA  A1283 (-3.5A)
LEA  A1283 (-2.3A)
LEA  A1283 (-3.6A)
LEA  A1283 (-4.0A)
 0.39A 2aceA-5aocA:
18.4		 2aceA-5aocA:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 GLY A 124
GLY A 125
SER A 204
ALA A 205
HIS A 449
 None
 0.82A 2aceA-5fv4A:
53.2		 2aceA-5fv4A:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		6 GLY A 125
GLY A 126
SER A 204
ALA A 205
PHE A 286
HIS A 449
 None
 1.04A 2aceA-5fv4A:
53.2		 2aceA-5fv4A:
37.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		6 GLY A 125
GLY A 126
SER A 204
ALA A 205
PHE A 300
HIS A 449
 None
 0.61A 2aceA-5fv4A:
53.2		 2aceA-5fv4A:
37.81
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  77
GLY A  78
SER A 145
ALA A 146
HIS A 269
 None
 0.78A 2aceA-5gmsA:
4.3		 2aceA-5gmsA:
21.50
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		6 GLY A  89
GLY A  90
ALA A 162
PHE A 218
PHE A 209
HIS A 286
 BAM  A 407 (-3.4A)
BAM  A 407 (-3.5A)
BAM  A 407 (-3.2A)
None
None
BAM  A 407 (-3.9A)
 1.02A 2aceA-5jd4A:
4.6		 2aceA-5jd4A:
20.81
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.
5jd5 MGS-MILE3

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  98
GLY A  99
ALA A 170
PHE A 228
HIS A 295
 OAS  A 169 ( 4.0A)
OAS  A 169 ( 3.0A)
OAS  A 169 ( 3.6A)
None
OAS  A 169 ( 4.1A)
 0.82A 2aceA-5jd5A:
3.5		 2aceA-5jd5A:
21.90
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.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		5 GLY A  83
GLY A  84
SER A 156
ALA A 157
HIS A 281
 None
 0.90A 2aceA-5l2pA:
4.8		 2aceA-5l2pA:
20.29
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		5 GLY A 118
GLY A 119
SER A 190
ALA A 191
HIS A 317
 None
 0.43A 2aceA-5mifA:
4.6		 2aceA-5mifA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		6 GLY A 108
GLY A 109
SER A 188
ALA A 189
PHE A 113
HIS A 445
 7BZ  A 601 ( 3.6A)
7BZ  A 601 (-3.0A)
7BZ  A 601 (-1.4A)
7BZ  A 601 (-3.7A)
7BZ  A 601 (-3.7A)
7BZ  A 601 (-3.8A)
 0.96A 2aceA-5thmA:
9.5		 2aceA-5thmA:
31.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 GLY A 109
SER A 188
ALA A 189
TRP A 221
HIS A 445
 7BZ  A 601 (-3.0A)
7BZ  A 601 (-1.4A)
7BZ  A 601 (-3.7A)
None
7BZ  A 601 (-3.8A)
 0.40A 2aceA-5thmA:
9.5		 2aceA-5thmA:
31.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 GLY A 108
GLY A 109
SER A 191
ALA A 192
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
MLI  A 601 ( 3.8A)
None
EPE  A 600 ( 4.0A)
 0.84A 2aceA-5w1uA:
40.9		 2aceA-5w1uA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		6 GLY A 109
GLY A 110
SER A 191
ALA A 192
TRP A 224
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
None
MLI  A 601 (-3.4A)
EPE  A 600 ( 4.0A)
 0.46A 2aceA-5w1uA:
40.9		 2aceA-5w1uA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 GLY A 110
SER A 191
ALA A 192
TRP A 224
PHE A 281
 EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
None
MLI  A 601 (-3.4A)
MLI  A 601 (-3.7A)
 0.87A 2aceA-5w1uA:
40.9		 2aceA-5w1uA:
30.17
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 GLY A 279
GLY A 280
ALA A 361
PHE A 490
PHE A 449
HIS A 600
 SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.7A)
None
None
SEB  A 360 ( 4.2A)
 1.20A 2aceA-5ydjA:
66.4		 2aceA-5ydjA:
undetectable
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 GLY A 279
GLY A 280
ALA A 361
TRP A 393
PHE A 449
HIS A 600
 SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.7A)
None
None
SEB  A 360 ( 4.2A)
 0.42A 2aceA-5ydjA:
66.4		 2aceA-5ydjA:
undetectable
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 GLY A 278
GLY A 279
SER A 360
ALA A 361
PHE A 490
HIS A 600
 None
 1.03A 2aceA-6arxA:
64.3		 2aceA-6arxA:
undetectable
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 GLY A 279
SER A 360
ALA A 361
PHE A 490
PHE A 449
HIS A 600
 None
 1.16A 2aceA-6arxA:
64.3		 2aceA-6arxA:
undetectable
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 GLY A 279
SER A 360
ALA A 361
TRP A 393
PHE A 449
HIS A 600
 None
 0.34A 2aceA-6arxA:
64.3		 2aceA-6arxA:
undetectable