SIMILAR PATTERNS OF AMINO ACIDS FOR 1W6R_A_GNTA1536_1

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
PHE A 324
HIS A 435
 None
 0.55A 1w6rA-1aqlA:
51.1		 1w6rA-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 106
GLY A 107
SER A 194
PHE A 324
HIS A 435
 None
 0.88A 1w6rA-1aqlA:
51.1		 1w6rA-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) 		6 ASP A  74
GLY A 122
TYR A 124
SER A 203
PHE A 338
HIS A 447
 None
 1.24A 1w6rA-1b41A:
59.5		 1w6rA-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) 		11 ASP A  74
TRP A  86
GLY A 120
GLY A 121
GLY A 122
TYR A 124
SER A 203
PHE A 295
PHE A 297
PHE A 338
HIS A 447
 None
 0.51A 1w6rA-1b41A:
59.5		 1w6rA-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) 		7 GLY A 120
GLY A 121
GLY A 122
SER A 203
PHE A 297
PHE A 295
HIS A 447
 None
 1.16A 1w6rA-1b41A:
59.5		 1w6rA-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) 		7 GLY A 120
GLY A 121
GLY A 122
TYR A 124
SER A 203
PHE A 338
HIS A 447
 None
 0.95A 1w6rA-1b41A:
59.5		 1w6rA-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) 		11 ASP A  74
TRP A  86
GLY A 120
GLY A 121
GLY A 122
TYR A 124
SER A 203
PHE A 295
PHE A 297
PHE A 338
HIS A 447
 None
 0.45A 1w6rA-1c2oA:
59.5		 1w6rA-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) 		7 GLY A 120
GLY A 121
GLY A 122
SER A 203
PHE A 297
PHE A 295
HIS A 447
 None
 1.19A 1w6rA-1c2oA:
59.5		 1w6rA-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) 		7 GLY A 120
GLY A 121
GLY A 122
TYR A 124
SER A 203
PHE A 338
HIS A 447
 None
 0.94A 1w6rA-1c2oA:
59.5		 1w6rA-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) 		6 ASP A  66
GLY A 105
GLY A 106
SER A 189
PHE A 314
HIS A 399
 None
 1.36A 1w6rA-1c7jA:
45.4		 1w6rA-1c7jA:
32.50
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
PHE A 314
HIS A 399
 None
 0.67A 1w6rA-1c7jA:
45.4		 1w6rA-1c7jA:
32.50
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
TYR A 109
SER A 189
HIS A 399
 None
 0.56A 1w6rA-1c7jA:
45.4		 1w6rA-1c7jA:
32.50
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 122
GLY A 123
GLY A 124
SER A 209
PHE A 345
PHE A 296
HIS A 449
 CLL  A 801 (-4.3A)
CLL  A 801 (-3.3A)
CLL  A 801 (-3.3A)
CLL  A 801 ( 2.8A)
CLL  A 801 ( 4.9A)
CLL  A 801 (-3.7A)
CLL  A 801 (-4.8A)
 1.31A 1w6rA-1cleA:
43.0		 1w6rA-1cleA:
31.13
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 122
GLY A 123
GLY A 124
SER A 209
PHE A 345
PHE A 296
HIS A 449
 None
 1.30A 1w6rA-1crlA:
40.7		 1w6rA-1crlA:
32.41
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
GLY A  84
SER A 155
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.0A)
 0.25A 1w6rA-1evqA:
18.0		 1w6rA-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) 		5 GLY A  82
GLY A  84
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.95A 1w6rA-1evqA:
18.0		 1w6rA-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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 GLY A 300
GLY A 322
GLY A 321
PHE A  92
PHE A 123
 None
 0.87A 1w6rA-1fw8A:
undetectable		 1w6rA-1fw8A:
22.14
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) 		10 ASP A  72
TRP A  84
GLY A 117
GLY A 118
GLY A 119
TYR A 121
SER A 200
PHE A 288
PHE A 290
PHE A 331
 None
SAF  A1998 (-3.8A)
SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
None
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.3A)
EMM  A1999 (-4.1A)
EMM  A1999 (-4.7A)
 0.42A 1w6rA-1gqrA:
68.9		 1w6rA-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) 		8 ASP A  72
TRP A  84
GLY A 117
GLY A 118
SER A 200
PHE A 288
PHE A 330
PHE A 331
 None
SAF  A1998 (-3.8A)
SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.3A)
SAF  A1998 (-3.1A)
EMM  A1999 (-4.7A)
 0.79A 1w6rA-1gqrA:
68.9		 1w6rA-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 117
GLY A 118
GLY A 119
SER A 200
PHE A 331
PHE A 290
HIS A 440
 SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.7A)
EMM  A1999 (-4.1A)
EMM  A1999 ( 3.8A)
 1.08A 1w6rA-1gqrA:
68.9		 1w6rA-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 117
GLY A 118
GLY A 119
TYR A 121
SER A 200
PHE A 290
PHE A 288
 SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
None
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.1A)
EMM  A1999 (-4.3A)
 0.93A 1w6rA-1gqrA:
68.9		 1w6rA-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 TRP A  84
GLY A 117
GLY A 118
GLY A 119
SER A 200
PHE A 288
PHE A 290
PHE A 331
HIS A 440
 SAF  A1998 (-3.8A)
SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.3A)
EMM  A1999 (-4.1A)
EMM  A1999 (-4.7A)
EMM  A1999 ( 3.8A)
 0.72A 1w6rA-1gqrA:
68.9		 1w6rA-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) 		6 ASP A 457
GLY A 211
GLY A 122
SER A 209
PHE A  87
HIS A 449
 None
 1.45A 1w6rA-1gz7A:
42.7		 1w6rA-1gz7A:
30.62
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 122
GLY A 123
GLY A 124
SER A 209
PHE A 345
HIS A 449
 None
 0.38A 1w6rA-1gz7A:
42.7		 1w6rA-1gz7A:
30.62
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 122
GLY A 123
GLY A 124
SER A 209
PHE A 345
HIS A 449
 None
 0.77A 1w6rA-1gz7A:
42.7		 1w6rA-1gz7A:
30.62
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.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 GLY A 373
GLY A 395
GLY A 394
PHE A 165
PHE A 196
 None
 0.88A 1w6rA-1hdiA:
undetectable		 1w6rA-1hdiA:
21.61
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.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 GLY A 373
GLY A 395
GLY A 394
PHE A 196
PHE A 165
 None
 0.97A 1w6rA-1hdiA:
undetectable		 1w6rA-1hdiA:
21.61
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		6 GLY A  87
GLY A  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.02A 1w6rA-1jjiA:
18.8		 1w6rA-1jjiA:
21.25
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 GLY A 126
GLY A 127
GLY A 128
SER A 202
HIS A 338
 None
 0.37A 1w6rA-1jkmA:
20.2		 1w6rA-1jkmA:
21.20
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 GLY A 126
GLY A 127
SER A 202
PHE A 259
HIS A 338
 None
 0.83A 1w6rA-1jkmA:
20.2		 1w6rA-1jkmA:
21.20
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
PHE A 324
HIS A 435
 None
 0.51A 1w6rA-1jmyA:
51.5		 1w6rA-1jmyA:
32.98
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
PHE A 324
HIS A 435
 None
 0.80A 1w6rA-1jmyA:
51.5		 1w6rA-1jmyA:
32.98
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 141
GLY A 142
GLY A 143
SER A 221
HIS A 467
 None
 0.69A 1w6rA-1k4yA:
51.3		 1w6rA-1k4yA:
35.65
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.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		5 GLY A  87
GLY A  88
GLY A  89
SER A 160
HIS A 290
 CAC  A 500 ( 3.8A)
CAC  A 500 (-3.5A)
CAC  A 500 (-3.5A)
CAC  A 500 (-3.5A)
CAC  A 500 (-4.1A)
 0.81A 1w6rA-1lzkA:
19.0		 1w6rA-1lzkA:
21.71
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) 		6 GLY A 240
GLY A 151
SER A 238
PHE A 330
PHE A 371
HIS A 480
 None
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.31A 1w6rA-1qonA:
60.3		 1w6rA-1qonA:
38.19
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) 		8 TRP A  83
GLY A 149
GLY A 150
GLY A 151
SER A 238
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.56A 1w6rA-1qonA:
60.3		 1w6rA-1qonA:
38.19
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 TRP A  83
GLY A 150
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.91A 1w6rA-1qonA:
60.3		 1w6rA-1qonA:
38.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		6 GLY A 126
GLY A 127
GLY A 128
SER A 210
PHE A 342
HIS A 440
 EDO  A1902 ( 4.3A)
EDO  A1902 (-3.6A)
EDO  A1902 (-3.4A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.3A)
EDO  A1902 ( 4.9A)
 0.47A 1w6rA-1ukcA:
38.8		 1w6rA-1ukcA:
30.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		6 GLY A 126
GLY A 127
GLY A 128
SER A 210
PHE A 342
HIS A 440
 EDO  A1902 ( 4.3A)
EDO  A1902 (-3.6A)
EDO  A1902 (-3.4A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.3A)
EDO  A1902 ( 4.9A)
 1.21A 1w6rA-1ukcA:
38.8		 1w6rA-1ukcA:
30.16
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.
1vkh PUTATIVE SERINE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF07859
(Abhydrolase_3) 		5 GLY A  37
GLY A  38
SER A 110
PHE A 169
HIS A 243
 None
 0.82A 1w6rA-1vkhA:
15.9		 1w6rA-1vkhA:
18.75
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.
2b7h HEMOGLOBIN ALPHA
CHAIN

(Cerdocyon thous) 		PF00042
(Globin) 		5 GLY A  25
GLY A  26
PHE A  43
PHE A  33
HIS A  58
 None
None
HEM  A 200 (-3.5A)
None
HEM  A 200 (-4.0A)
 0.93A 1w6rA-2b7hA:
undetectable		 1w6rA-2b7hA:
15.33
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
GLY A  83
SER A 154
HIS A 281
 None
 0.41A 1w6rA-2c7bA:
19.0		 1w6rA-2c7bA:
21.25
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 GLY A  81
GLY A  83
SER A 154
PHE A 214
HIS A 281
 None
 0.96A 1w6rA-2c7bA:
19.0		 1w6rA-2c7bA:
21.25
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 ASP A 203
GLY A 357
GLY A 358
GLY A 359
SER A 377
 None
None
None
3PG  A 503 ( 3.1A)
None
 0.92A 1w6rA-2cunA:
undetectable		 1w6rA-2cunA:
21.40
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		6 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
 TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
 0.65A 1w6rA-2fj0A:
47.5		 1w6rA-2fj0A:
29.65
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		6 GLY A 145
GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
 TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
 1.37A 1w6rA-2fj0A:
47.5		 1w6rA-2fj0A:
29.65
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		6 GLY A 224
GLY A 228
PHE A 260
PHE A 148
PHE A 425
PHE A 259
 None
None
None
None
None
TFC  A 600 (-4.0A)
 1.42A 1w6rA-2fj0A:
47.5		 1w6rA-2fj0A:
29.65
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 GLY A  91
GLY A  92
GLY A  93
SER A 169
HIS A 306
 4PA  A 369 ( 3.8A)
4PA  A 369 (-3.5A)
4PA  A 369 (-3.6A)
4PA  A 369 (-1.8A)
4PA  A 369 (-4.8A)
 0.26A 1w6rA-2o7rA:
5.4		 1w6rA-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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		5 GLY A 373
GLY A 395
GLY A 394
PHE A 165
PHE A 196
 ATP  A 500 (-3.6A)
None
None
None
None
 0.97A 1w6rA-2paaA:
undetectable		 1w6rA-2paaA:
21.48
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  33
GLY A  34
GLY A  35
SER A 102
HIS A 247
 PO4  A 273 ( 3.7A)
PO4  A 273 (-3.3A)
PO4  A 273 (-3.5A)
PO4  A 273 (-2.3A)
PO4  A 273 (-4.0A)
 0.21A 1w6rA-2qruA:
14.1		 1w6rA-2qruA:
16.24
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		6 GLY A  84
GLY A  85
GLY A  86
SER A 157
PHE A 217
HIS A 284
 None
 0.95A 1w6rA-2yh2A:
19.1		 1w6rA-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) 		7 GLY A  78
GLY A  79
GLY A  80
SER A 150
PHE A 206
PHE A 197
HIS A 273
 DEP  A 304 ( 3.8A)
DEP  A 304 (-3.6A)
DEP  A 304 (-3.5A)
DEP  A 304 (-1.5A)
DEP  A 304 (-4.5A)
None
DEP  A 304 (-4.1A)
 0.99A 1w6rA-3ailA:
18.6		 1w6rA-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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 GLY A 164
GLY A 165
TYR A 301
SER A 233
HIS A 377
 None
PGE  A 404 ( 4.1A)
PGE  A 404 ( 3.7A)
BME  A 403 ( 4.0A)
BME  A 403 (-4.4A)
 0.86A 1w6rA-3fnbA:
14.4		 1w6rA-3fnbA:
19.57
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.
3h04 UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF07859
(Abhydrolase_3) 		5 GLY A  37
GLY A  38
GLY A  39
SER A 104
HIS A 248
 None
 0.20A 1w6rA-3h04A:
16.2		 1w6rA-3h04A:
18.22
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.
3hxk SUGAR HYDROLASE

(Lactococcus
lactis) 		PF00326
(Peptidase_S9) 		5 GLY A  51
GLY A  52
GLY A  53
SER A 127
HIS A 231
 None
 0.47A 1w6rA-3hxkA:
16.0		 1w6rA-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
GLY A  90
SER A 157
HIS A 281
 None
 0.42A 1w6rA-3k6kA:
5.7		 1w6rA-3k6kA:
20.40
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
GLY A1143
SER A1221
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
 0.41A 1w6rA-3k9bA:
52.4		 1w6rA-3k9bA:
37.19
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.
3nwo PROLINE
IMINOPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF00561
(Abhydrolase_1) 		5 GLY A  41
GLY A  42
TYR A 214
SER A 113
HIS A 280
 EDO  A 312 ( 4.5A)
EDO  A 312 (-3.7A)
None
GOL  A 311 (-2.8A)
EDO  A 312 (-4.7A)
 0.58A 1w6rA-3nwoA:
14.0		 1w6rA-3nwoA:
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.
3v9a ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  75
GLY A  76
GLY A  77
SER A 144
HIS A 268
 None
 0.32A 1w6rA-3v9aA:
5.8		 1w6rA-3v9aA:
20.15
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		6 GLY A  84
GLY A  85
GLY A  86
SER A 156
PHE A 213
HIS A 281
 None
 0.97A 1w6rA-3wj2A:
4.9		 1w6rA-3wj2A:
19.45
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 133
GLY A 134
GLY A 135
SER A 220
PHE A 356
HIS A 465
 None
PGE  A1554 ( 4.7A)
1PE  A1553 (-3.3A)
1PE  A1553 (-2.9A)
None
None
 0.35A 1w6rA-4be9A:
42.2		 1w6rA-4be9A:
32.46
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 133
GLY A 134
GLY A 135
SER A 220
PHE A 356
HIS A 465
 None
PGE  A1554 ( 4.7A)
1PE  A1553 (-3.3A)
1PE  A1553 (-2.9A)
None
None
 0.86A 1w6rA-4be9A:
42.2		 1w6rA-4be9A:
32.46
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		5 GLY A 106
GLY A 107
SER A 174
PHE A 238
HIS A 313
 None
 0.73A 1w6rA-4c89A:
16.0		 1w6rA-4c89A:
20.14
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		5 GLY A 106
GLY A 107
TYR A 110
SER A 174
HIS A 313
 None
 0.37A 1w6rA-4c89A:
16.0		 1w6rA-4c89A:
20.14
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		6 ASP A 435
GLY A 335
GLY A 424
GLY A 425
SER A 336
PHE A 383
 None
 1.42A 1w6rA-4doeA:
undetectable		 1w6rA-4doeA:
20.14
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
GLY A 137
PHE A 309
PHE A 354
 DPF  A 601 ( 3.8A)
DPF  A 601 (-3.4A)
DPF  A 601 (-3.7A)
None
None
 0.72A 1w6rA-4fnmA:
39.2		 1w6rA-4fnmA:
30.62
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) 		6 GLY A 135
GLY A 136
GLY A 137
SER A 218
PHE A 309
HIS A 471
 DPF  A 601 ( 3.8A)
DPF  A 601 (-3.4A)
DPF  A 601 (-3.7A)
DPF  A 601 (-1.5A)
None
DPF  A 601 (-4.2A)
 0.61A 1w6rA-4fnmA:
39.2		 1w6rA-4fnmA:
30.62
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.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		5 GLY X  74
GLY X  75
GLY X  76
SER X 146
HIS X 278
 2HD  X 401 (-3.9A)
2HD  X 401 (-3.5A)
2HD  X 401 (-3.6A)
2HD  X 401 (-1.7A)
2HD  X 401 (-3.5A)
 0.27A 1w6rA-4n5iX:
20.1		 1w6rA-4n5iX:
22.45
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.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		6 GLY A  86
GLY A  87
GLY A  88
PHE A 216
PHE A 207
HIS A 286
 None
 1.00A 1w6rA-4ou4A:
18.7		 1w6rA-4ou4A:
19.86
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		6 GLY A  79
GLY A  80
GLY A  81
SER A 151
PHE A 197
HIS A 274
 None
 0.61A 1w6rA-4p9nA:
18.5		 1w6rA-4p9nA:
21.96
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) 		6 GLY A  79
GLY A  81
SER A 151
PHE A 206
PHE A 197
HIS A 274
 None
 1.00A 1w6rA-4p9nA:
18.5		 1w6rA-4p9nA:
21.96
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
GLY A  43
SER A 113
HIS A 201
 F  A 302 ( 4.2A)
F  A 302 (-3.9A)
F  A 302 (-3.4A)
F  A 302 (-2.5A)
None
 0.26A 1w6rA-4q3kA:
18.3		 1w6rA-4q3kA:
19.85
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) 		7 ASP A  72
GLY A 118
TYR A 121
SER A 200
PHE A 288
PHE A 331
HIS A 440
 None
 1.06A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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) 		11 ASP A  72
TRP A  84
GLY A 117
GLY A 118
GLY A 119
TYR A 121
SER A 200
PHE A 288
PHE A 290
PHE A 331
HIS A 440
 None
 0.45A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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 117
GLY A 118
GLY A 119
TYR A 121
SER A 200
PHE A 290
PHE A 288
HIS A 440
 None
 1.14A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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) 		7 GLY A 202
GLY A 119
SER A 200
PHE A 288
PHE A 290
PHE A 331
HIS A 440
 None
 1.29A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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 TRP A  84
GLY A 117
PHE A 288
PHE A 331
HIS A 440
 None
 0.93A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		5 GLY A  85
GLY A  87
SER A 158
PHE A 215
HIS A 285
 None
 0.84A 1w6rA-4v2iA:
18.2		 1w6rA-4v2iA:
19.09
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.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		6 GLY A  88
GLY A  89
GLY A  90
SER A 161
PHE A 221
HIS A 292
 None
 0.84A 1w6rA-4wy5A:
18.3		 1w6rA-4wy5A:
20.15
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  89
GLY A  90
GLY A  91
SER A 164
HIS A 291
 None
 0.27A 1w6rA-4wy8A:
5.1		 1w6rA-4wy8A:
21.49
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  91
SER A 164
PHE A 221
HIS A 291
 None
 0.98A 1w6rA-4wy8A:
5.1		 1w6rA-4wy8A:
21.49
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) 		8 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.58A 1w6rA-4xiiA:
65.2		 1w6rA-4xiiA:
52.67
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 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.11A 1w6rA-4xiiA:
65.2		 1w6rA-4xiiA:
52.67
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		6 GLY A  86
GLY A  87
GLY A  88
SER A 159
PHE A 207
HIS A 283
 None
 0.73A 1w6rA-4ypvA:
18.6		 1w6rA-4ypvA:
21.39
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		6 GLY A  86
GLY A  88
SER A 159
PHE A 216
PHE A 207
HIS A 283
 None
 1.04A 1w6rA-4ypvA:
18.6		 1w6rA-4ypvA:
21.39
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A  52
GLY A  53
GLY A  54
SER A 126
HIS A 248
 LEA  A1283 ( 4.0A)
LEA  A1283 (-3.4A)
LEA  A1283 (-3.5A)
LEA  A1283 (-2.3A)
LEA  A1283 (-4.0A)
 0.26A 1w6rA-5aocA:
18.3		 1w6rA-5aocA:
20.80
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 ASP A  73
GLY A 124
GLY A 125
GLY A 126
PHE A 300
 None
 0.70A 1w6rA-5fv4A:
52.8		 1w6rA-5fv4A:
37.76
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 124
GLY A 125
GLY A 126
SER A 204
PHE A 300
HIS A 449
 None
 0.55A 1w6rA-5fv4A:
52.8		 1w6rA-5fv4A:
37.76
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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 107
GLY A 108
GLY A 109
SER A 188
HIS A 317
 TRS  A 402 ( 3.8A)
TRS  A 402 (-3.3A)
TRS  A 402 (-3.4A)
TRS  A 402 (-2.3A)
TRS  A 402 (-4.3A)
 0.35A 1w6rA-5hc4A:
20.9		 1w6rA-5hc4A:
23.86
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 125
GLY A 126
GLY A 127
SER A 201
HIS A 333
 None
 0.38A 1w6rA-5iq0A:
20.9		 1w6rA-5iq0A:
22.60
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  88
GLY A  89
GLY A  90
PHE A 209
HIS A 286
 BAM  A 407 ( 3.9A)
BAM  A 407 (-3.4A)
BAM  A 407 (-3.5A)
None
BAM  A 407 (-3.9A)
 0.87A 1w6rA-5jd4A:
17.8		 1w6rA-5jd4A:
21.13
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.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		5 GLY A  83
GLY A  84
SER A 156
PHE A 203
HIS A 281
 None
 0.48A 1w6rA-5l2pA:
17.7		 1w6rA-5l2pA:
20.32
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		5 GLY A 117
GLY A 118
GLY A 119
SER A 190
HIS A 317
 None
 0.17A 1w6rA-5mifA:
18.5		 1w6rA-5mifA:
20.83
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		6 GLY A 108
GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.84A 1w6rA-5w1uA:
40.9		 1w6rA-5w1uA:
29.88
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 9 ASP A 233
TRP A 245
GLY A 278
GLY A 279
GLY A 280
TYR A 282
PHE A 449
PHE A 490
HIS A 600
 None
SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.5A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.0A)
None
None
None
SEB  A 360 ( 4.2A)
 0.38A 1w6rA-5ydjA:
65.7		 1w6rA-5ydjA:
9.02
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 GLY A 278
GLY A 279
GLY A 280
PHE A 490
PHE A 449
HIS A 600
 SEB  A 360 ( 3.5A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.0A)
None
None
SEB  A 360 ( 4.2A)
 1.13A 1w6rA-5ydjA:
65.7		 1w6rA-5ydjA:
9.02
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 ASP A 233
GLY A 279
TYR A 282
SER A 360
PHE A 490
HIS A 600
 None
 1.10A 1w6rA-6arxA:
65.5		 1w6rA-6arxA:
13.53
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 9 ASP A 233
TRP A 245
GLY A 278
GLY A 279
TYR A 282
SER A 360
PHE A 449
PHE A 490
HIS A 600
 None
 0.38A 1w6rA-6arxA:
65.5		 1w6rA-6arxA:
13.53
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 GLY A 278
GLY A 279
TYR A 282
SER A 360
PHE A 490
PHE A 449
HIS A 600
 None
 1.05A 1w6rA-6arxA:
65.5		 1w6rA-6arxA:
13.53
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 5 TRP A   6
GLY A 779
TYR A 794
PHE A 111
PHE A  15
 None
 0.90A 1w6rA-6gh2A:
undetectable		 1w6rA-6gh2A:
8.59