SIMILAR PATTERNS OF AMINO ACIDS FOR 4EY6_A_GNTA604_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
 0.49A 4ey6A-1aqlA:
50.3		 4ey6A-1aqlA:
33.87
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) 		9 GLY A 120
GLY A 121
GLY A 122
TYR A 124
SER A 125
SER A 203
PHE A 297
PHE A 295
HIS A 447
 None
 1.03A 4ey6A-1b41A:
64.3		 4ey6A-1b41A:
100.00
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
TYR A 124
SER A 125
SER A 203
PHE A 295
HIS A 447
 None
 1.45A 4ey6A-1b41A:
64.3		 4ey6A-1b41A:
100.00
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 122
TYR A 124
SER A 125
SER A 203
PHE A 338
HIS A 447
 None
 1.48A 4ey6A-1b41A:
64.3		 4ey6A-1b41A:
100.00
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) 		12 TRP A  86
GLY A 120
GLY A 121
GLY A 122
TYR A 124
SER A 125
SER A 203
PHE A 295
PHE A 297
TYR A 337
PHE A 338
HIS A 447
 None
 0.37A 4ey6A-1b41A:
64.3		 4ey6A-1b41A:
100.00
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 TRP A  86
GLY A 121
SER A 203
PHE A 295
PHE A 338
HIS A 447
 None
 1.11A 4ey6A-1b41A:
64.3		 4ey6A-1b41A:
100.00
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
TYR A 124
SER A 125
SER A 203
PHE A 295
HIS A 447
 None
 1.44A 4ey6A-1c2oA:
63.0		 4ey6A-1c2oA:
88.50
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) 		12 TRP A  86
GLY A 120
GLY A 121
GLY A 122
TYR A 124
SER A 125
SER A 203
PHE A 295
PHE A 297
TYR A 337
PHE A 338
HIS A 447
 None
 0.39A 4ey6A-1c2oA:
63.0		 4ey6A-1c2oA:
88.50
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 TRP A  86
GLY A 121
SER A 203
PHE A 295
PHE A 338
HIS A 447
 None
 1.06A 4ey6A-1c2oA:
63.0		 4ey6A-1c2oA:
88.50
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
 0.59A 4ey6A-1c7jA:
45.2		 4ey6A-1c7jA:
34.49
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
 0.88A 4ey6A-1c7jA:
45.2		 4ey6A-1c7jA:
34.49
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
 0.48A 4ey6A-1c7jA:
45.2		 4ey6A-1c7jA:
34.49
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)
 1.33A 4ey6A-1cleA:
42.7		 4ey6A-1cleA:
30.30
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 4ey6A-1crlA:
40.0		 4ey6A-1crlA:
31.18
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  82
GLY A  83
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 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.89A 4ey6A-1evqA:
5.9		 4ey6A-1evqA:
22.79
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
 0.84A 4ey6A-1fw8A:
undetectable		 4ey6A-1fw8A:
21.86
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 GLY A 300
GLY A 322
GLY A 321
PHE A 123
PHE A  92
 None
 0.94A 4ey6A-1fw8A:
undetectable		 4ey6A-1fw8A:
21.86
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)
 1.12A 4ey6A-1gqrA:
61.5		 4ey6A-1gqrA:
57.38
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 122
SER A 200
PHE A 288
 SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
None
None
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.3A)
 0.85A 4ey6A-1gqrA:
61.5		 4ey6A-1gqrA:
57.38
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 TRP A  84
GLY A 117
GLY A 118
GLY A 119
SER A 122
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)
None
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.3A)
EMM  A1999 (-4.1A)
EMM  A1999 (-4.7A)
EMM  A1999 ( 3.8A)
 0.75A 4ey6A-1gqrA:
61.5		 4ey6A-1gqrA:
57.38
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
TYR A 121
SER A 122
SER A 200
PHE A 288
PHE A 290
 SAF  A1998 (-3.8A)
SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
None
None
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.3A)
EMM  A1999 (-4.1A)
 0.41A 4ey6A-1gqrA:
61.5		 4ey6A-1gqrA:
57.38
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
 0.32A 4ey6A-1gz7A:
41.7		 4ey6A-1gz7A:
31.86
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
 0.85A 4ey6A-1gz7A:
41.7		 4ey6A-1gz7A:
31.86
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.
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 4ey6A-1hdiA:
undetectable		 4ey6A-1hdiA:
20.93
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.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 GLY A 373
GLY A 395
GLY A 394
PHE A 196
PHE A 165
 None
 0.93A 4ey6A-1hdiA:
undetectable		 4ey6A-1hdiA:
20.93
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.
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)
 1.01A 4ey6A-1jjiA:
19.0		 4ey6A-1jjiA:
21.36
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
 0.32A 4ey6A-1jkmA:
20.7		 4ey6A-1jkmA:
23.96
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
 0.42A 4ey6A-1jmyA:
50.0		 4ey6A-1jmyA:
33.27
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
 0.88A 4ey6A-1jmyA:
50.0		 4ey6A-1jmyA:
33.27
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
 0.68A 4ey6A-1k4yA:
49.8		 4ey6A-1k4yA:
33.80
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)
 0.78A 4ey6A-1lzkA:
19.1		 4ey6A-1lzkA:
23.73
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 149
GLY A 150
GLY A 151
SER A 238
PHE A 371
HIS A 480
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.12A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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) 		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)
 1.25A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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 TRP A  83
GLY A 149
GLY A 150
GLY A 151
PHE A 330
TYR A 370
PHE A 371
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
I40  A 997 ( 4.1A)
I40  A 997 (-3.9A)
I40  A 997 (-4.9A)
 0.82A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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) 		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)
 0.53A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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 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)
 0.83A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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)
 0.52A 4ey6A-1ukcA:
39.0		 4ey6A-1ukcA:
32.16
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)
 1.29A 4ey6A-1ukcA:
39.0		 4ey6A-1ukcA:
32.16
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
 0.80A 4ey6A-1vkhA:
16.2		 4ey6A-1vkhA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zl0 HYPOTHETICAL PROTEIN
PA5198

(Pseudomonas
aeruginosa) 		PF02016
(Peptidase_S66) 		5 GLY A  87
GLY A  88
SER A  25
SER A 115
HIS A 285
 EDO  A1407 (-3.5A)
EDO  A1408 ( 3.4A)
None
TLA  A1401 ( 2.0A)
EDO  A1407 ( 3.9A)
 0.92A 4ey6A-1zl0A:
3.5		 4ey6A-1zl0A:
23.73
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  81
GLY A  82
GLY A  83
SER A 154
PHE A 214
HIS A 281
 None
 0.89A 4ey6A-2c7bA:
3.9		 4ey6A-2c7bA:
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.
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)
 0.64A 4ey6A-2fj0A:
48.2		 4ey6A-2fj0A:
29.85
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)
 1.44A 4ey6A-2fj0A:
48.2		 4ey6A-2fj0A:
29.85
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)
 0.20A 4ey6A-2o7rA:
19.6		 4ey6A-2o7rA:
21.75
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.
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
 0.95A 4ey6A-2paaA:
undetectable		 4ey6A-2paaA:
20.67
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		5 GLY A 373
GLY A 395
GLY A 394
PHE A 196
PHE A 165
 ATP  A 500 (-3.6A)
None
None
None
None
 0.93A 4ey6A-2paaA:
undetectable		 4ey6A-2paaA:
20.67
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.
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)
 0.19A 4ey6A-2qruA:
14.3		 4ey6A-2qruA:
17.92
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.
2xxl GRAM-POSITIVE
SPECIFIC SERINE
PROTEASE, ISOFORM B

(Drosophila
melanogaster) 		PF00089
(Trypsin)
PF12032
(CLIP) 		5 GLY A 308
GLY A 307
GLY A 306
SER A 313
TYR A 294
 None
 0.96A 4ey6A-2xxlA:
undetectable		 4ey6A-2xxlA:
22.15
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.
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
 0.92A 4ey6A-2yh2A:
8.1		 4ey6A-2yh2A:
20.66
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		6 GLY A  78
GLY A  79
GLY A  80
SER A 150
PHE A 206
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)
DEP  A 304 (-4.1A)
 0.96A 4ey6A-3ailA:
19.0		 4ey6A-3ailA:
21.98
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 GLY A 375
GLY A 376
SER A 334
SER A 499
HIS A 105
 None
 0.87A 4ey6A-3djaA:
undetectable		 4ey6A-3djaA:
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.
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)
 0.90A 4ey6A-3fnbA:
14.8		 4ey6A-3fnbA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.15A 4ey6A-3h04A:
15.8		 4ey6A-3h04A:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.41A 4ey6A-3hxkA:
4.4		 4ey6A-3hxkA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k6k ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		6 GLY A  88
GLY A  89
GLY A  90
SER A  93
SER A 157
HIS A 281
 None
 0.39A 4ey6A-3k6kA:
16.9		 4ey6A-3k6kA:
21.61
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
 0.39A 4ey6A-3k9bA:
51.7		 4ey6A-3k9bA:
36.13
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.
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)
 0.60A 4ey6A-3nwoA:
14.2		 4ey6A-3nwoA:
22.02
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.
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
 0.29A 4ey6A-3v9aA:
16.7		 4ey6A-3v9aA:
20.25
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.
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 4ey6A-3wj2A:
17.5		 4ey6A-3wj2A:
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		6 GLY A 130
GLY A 131
GLY A 132
SER A 154
PHE A 241
PHE A 271
 ACT  A1692 ( 4.0A)
None
None
ACT  A1692 ( 4.9A)
None
None
 1.48A 4ey6A-3zukA:
undetectable		 4ey6A-3zukA:
22.78
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) 		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
 0.25A 4ey6A-4be9A:
41.0		 4ey6A-4be9A:
31.10
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
 0.94A 4ey6A-4be9A:
41.0		 4ey6A-4be9A:
31.10
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		6 GLY A 106
GLY A 107
TYR A 110
SER A 174
PHE A 238
HIS A 313
 None
 0.78A 4ey6A-4c89A:
16.5		 4ey6A-4c89A:
21.62
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)
 0.54A 4ey6A-4fnmA:
38.7		 4ey6A-4fnmA:
30.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.26A 4ey6A-4n5iX:
20.9		 4ey6A-4n5iX:
22.59
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		6 GLY A  79
GLY A  80
GLY A  81
SER A 151
PHE A 206
HIS A 274
 None
 0.95A 4ey6A-4p9nA:
8.1		 4ey6A-4p9nA:
21.21
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
 0.22A 4ey6A-4q3kA:
18.3		 4ey6A-4q3kA:
18.63
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 122
SER A 200
PHE A 288
HIS A 440
 None
 1.03A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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 119
TYR A 121
SER A 122
SER A 200
TYR A 330
PHE A 331
HIS A 440
 None
 1.20A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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 202
GLY A 119
SER A 200
PHE A 288
PHE A 290
HIS A 440
 None
 1.23A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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) 		12 TRP A  84
GLY A 117
GLY A 118
GLY A 119
TYR A 121
SER A 122
SER A 200
PHE A 288
PHE A 290
TYR A 330
PHE A 331
HIS A 440
 None
 0.44A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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 TRP A  84
GLY A 117
PHE A 288
TYR A 330
PHE A 331
HIS A 440
 None
 0.84A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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 4ey6A-4v2iA:
19.0		 4ey6A-4v2iA:
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.
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
 0.85A 4ey6A-4wy5A:
8.2		 4ey6A-4wy5A:
22.66
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		6 GLY A  89
GLY A  90
GLY A  91
SER A 164
TYR A 212
HIS A 291
 None
 0.62A 4ey6A-4wy8A:
19.5		 4ey6A-4wy8A:
21.72
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		6 GLY A  89
GLY A  91
SER A 164
PHE A 221
TYR A 212
HIS A 291
 None
 0.92A 4ey6A-4wy8A:
19.5		 4ey6A-4wy8A:
21.72
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)
 1.17A 4ey6A-4xiiA:
64.7		 4ey6A-4xiiA:
52.78
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) 		7 TRP A  82
GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 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)
 0.56A 4ey6A-4xiiA:
64.7		 4ey6A-4xiiA:
52.78
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.
4y68 PUTATIVE
NISIN-RESISTANCE
PROTEIN

(Streptococcus
agalactiae) 		no annotation 5 GLY C 170
GLY C 171
SER C 135
SER C 236
HIS C  98
 None
 0.77A 4ey6A-4y68C:
undetectable		 4ey6A-4y68C:
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 GLY A  86
GLY A  87
GLY A  88
SER A 159
HIS A 283
 None
 0.22A 4ey6A-4ypvA:
19.7		 4ey6A-4ypvA:
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.
5a2g CARBOXYLIC ESTER
HYDROLASE

(Hungatella
hathewayi) 		PF00135
(COesterase) 		5 GLY A 113
GLY A 114
SER A 200
PHE A 324
HIS A 416
 None
 0.88A 4ey6A-5a2gA:
42.4		 4ey6A-5a2gA:
29.26
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		6 GLY A  52
GLY A  53
GLY A  54
SER A  57
SER A 126
HIS A 248
 LEA  A1283 ( 4.0A)
LEA  A1283 (-3.4A)
LEA  A1283 (-3.5A)
None
LEA  A1283 (-2.3A)
LEA  A1283 (-4.0A)
 0.37A 4ey6A-5aocA:
18.5		 4ey6A-5aocA:
21.69
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
 0.49A 4ey6A-5fv4A:
51.1		 4ey6A-5fv4A:
36.13
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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		6 GLY A 107
GLY A 108
GLY A 109
SER A 112
SER A 188
HIS A 317
 TRS  A 402 ( 3.8A)
TRS  A 402 (-3.3A)
TRS  A 402 (-3.4A)
GOL  A 401 (-3.6A)
TRS  A 402 (-2.3A)
TRS  A 402 (-4.3A)
 0.39A 4ey6A-5hc4A:
21.3		 4ey6A-5hc4A:
22.90
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 125
GLY A 126
GLY A 127
SER A 201
HIS A 333
 None
 0.34A 4ey6A-5iq0A:
21.5		 4ey6A-5iq0A:
23.05
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.
5jd5 MGS-MILE3

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  97
GLY A  98
GLY A  99
PHE A 228
HIS A 295
 OAS  A 169 ( 4.3A)
OAS  A 169 ( 4.0A)
OAS  A 169 ( 3.0A)
None
OAS  A 169 ( 4.1A)
 0.92A 4ey6A-5jd5A:
7.7		 4ey6A-5jd5A:
23.40
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.
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
 0.14A 4ey6A-5mifA:
19.5		 4ey6A-5mifA:
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.
5uoh CARBOXYLESTERASE A

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 GLY A 109
GLY A 110
SER A 228
TYR A 342
HIS A 490
 None
 0.81A 4ey6A-5uohA:
14.3		 4ey6A-5uohA:
21.26
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 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)
 0.79A 4ey6A-5w1uA:
41.0		 4ey6A-5w1uA:
30.40
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 108
GLY A 109
GLY A 110
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.00A 4ey6A-5w1uA:
41.0		 4ey6A-5w1uA:
30.40
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.
5xtg 2,3-DIHYDROXY-2,3-DI
HYDROPHENYLPROPIONAT
E DEHYDROGENASE

(Pseudomonas sp.
MC1) 		PF13561
(adh_short_C2) 		5 GLY B 147
GLY B 148
GLY B 149
TYR B 153
SER B 142
 None
None
None
NAD  B 301 (-4.7A)
NAD  B 301 ( 4.8A)
 0.90A 4ey6A-5xtgB:
2.6		 4ey6A-5xtgB:
20.47
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.
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)
 1.18A 4ey6A-5ydjA:
63.8		 4ey6A-5ydjA:
10.33
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 GLY A 279
TYR A 282
SER A 283
TYR A 489
PHE A 490
HIS A 600
 SEB  A 360 ( 3.0A)
None
SEB  A 360 ( 4.6A)
None
None
SEB  A 360 ( 4.2A)
 1.15A 4ey6A-5ydjA:
63.8		 4ey6A-5ydjA:
10.33
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 10 TRP A 245
GLY A 278
GLY A 279
GLY A 280
TYR A 282
SER A 283
PHE A 449
TYR A 489
PHE A 490
HIS A 600
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.5A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.0A)
None
SEB  A 360 ( 4.6A)
None
None
None
SEB  A 360 ( 4.2A)
 0.47A 4ey6A-5ydjA:
63.8		 4ey6A-5ydjA:
10.33
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
GLY A 278
TYR A 489
PHE A 490
HIS A 600
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.5A)
None
None
SEB  A 360 ( 4.2A)
 0.86A 4ey6A-5ydjA:
63.8		 4ey6A-5ydjA:
10.33
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.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 5 GLY A  42
GLY A  43
SER A 111
PHE A 236
HIS A 297
 FLC  A 402 ( 3.8A)
FLC  A 402 (-3.4A)
FLC  A 402 (-2.5A)
None
FLC  A 402 (-3.7A)
 0.86A 4ey6A-5yhpA:
13.0		 4ey6A-5yhpA:
20.63
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
PHE A 490
PHE A 449
HIS A 600
 None
 1.17A 4ey6A-6arxA:
65.0		 4ey6A-6arxA:
9.77
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 GLY A 279
TYR A 282
SER A 283
SER A 360
TYR A 489
PHE A 490
HIS A 600
 None
 1.16A 4ey6A-6arxA:
65.0		 4ey6A-6arxA:
9.77
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 10 TRP A 245
GLY A 278
GLY A 279
TYR A 282
SER A 283
SER A 360
PHE A 449
TYR A 489
PHE A 490
HIS A 600
 None
 0.47A 4ey6A-6arxA:
65.0		 4ey6A-6arxA:
9.77
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
GLY A 278
TYR A 489
PHE A 490
HIS A 600
 None
 0.89A 4ey6A-6arxA:
65.0		 4ey6A-6arxA:
9.77