SIMILAR PATTERNS OF AMINO ACIDS FOR 1W76_B_GNTB1538_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) 		6 GLY A 106
GLY A 107
GLU A 193
SER A 194
PHE A 324
HIS A 435
 None
 0.54A 1w76B-1aqlA:
50.2		 1w76B-1aqlA:
33.63
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.
1azw PROLINE
IMINOPEPTIDASE

(Xanthomonas
citri) 		PF00561
(Abhydrolase_1) 		5 GLY A  42
GLY A  43
SER A 110
PHE A 234
HIS A 294
 None
 0.90A 1w76B-1azwA:
12.4		 1w76B-1azwA:
20.36
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 ASP A  74
GLY A 122
TYR A 124
GLU A 202
SER A 203
PHE A 338
HIS A 447
 None
 1.19A 1w76B-1b41A:
58.5		 1w76B-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) 		10 ASP A  74
TRP A  86
GLY A 120
GLY A 121
TYR A 124
GLU A 202
SER A 203
PHE A 297
PHE A 338
HIS A 447
 None
 0.55A 1w76B-1b41A:
58.5		 1w76B-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
GLU A 202
SER A 203
PHE A 297
PHE A 295
HIS A 447
 None
 1.16A 1w76B-1b41A:
58.5		 1w76B-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 ASP A  74
GLY A 122
TYR A 124
SER A 203
PHE A 338
HIS A 447
 None
 1.29A 1w76B-1c2oA:
58.4		 1w76B-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) 		10 ASP A  74
TRP A  86
GLY A 120
GLY A 121
TYR A 124
GLU A 202
SER A 203
PHE A 297
PHE A 338
HIS A 447
 None
 0.49A 1w76B-1c2oA:
58.4		 1w76B-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
GLU A 202
SER A 203
PHE A 297
PHE A 295
HIS A 447
 None
 1.19A 1w76B-1c2oA:
58.4		 1w76B-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
GLU A 188
SER A 189
HIS A 399
 None
 0.93A 1w76B-1c7jA:
44.1		 1w76B-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) 		6 GLY A 105
GLY A 106
GLU A 188
SER A 189
PHE A 314
HIS A 399
 None
 0.63A 1w76B-1c7jA:
44.1		 1w76B-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) 		6 GLY A 105
GLY A 106
TYR A 109
GLU A 188
SER A 189
HIS A 399
 None
 0.57A 1w76B-1c7jA:
44.1		 1w76B-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) 		6 GLY A 122
GLY A 123
GLU A 208
SER A 209
PHE A 345
HIS A 449
 CLL  A 801 (-4.3A)
CLL  A 801 (-3.3A)
CLL  A 801 (-3.4A)
CLL  A 801 ( 2.8A)
CLL  A 801 ( 4.9A)
CLL  A 801 (-4.8A)
 0.33A 1w76B-1cleA:
43.4		 1w76B-1cleA:
31.13
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) 		5 GLY A 123
GLY A 124
SER A 209
PHE A 345
HIS A 449
 CLL  A 801 (-3.3A)
CLL  A 801 (-3.3A)
CLL  A 801 ( 2.8A)
CLL  A 801 ( 4.9A)
CLL  A 801 (-4.8A)
 1.05A 1w76B-1cleA:
43.4		 1w76B-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) 		5 GLY A 123
GLY A 124
SER A 209
PHE A 345
HIS A 449
 None
 1.08A 1w76B-1crlA:
41.0		 1w76B-1crlA:
32.41
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
GLU A 208
SER A 209
PHE A 345
HIS A 449
 None
 1.00A 1w76B-1crlA:
41.0		 1w76B-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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP B 250
GLY B 279
GLY B 280
PHE B 334
HIS B 322
 None
HAE  B 800 ( 4.5A)
None
None
None
 1.12A 1w76B-1e9yB:
undetectable		 1w76B-1e9yB:
20.35
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 ASP A  72
TRP A  84
GLY A 117
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 331
 None
SAF  A1998 (-3.8A)
SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.1A)
EMM  A1999 (-4.7A)
 0.44A 1w76B-1gqrA:
69.1		 1w76B-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
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 288
 SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.1A)
EMM  A1999 (-4.3A)
 1.03A 1w76B-1gqrA:
69.1		 1w76B-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) 		5 GLY A 202
GLU A 199
SER A 200
PHE A 290
HIS A 440
 None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.1A)
EMM  A1999 ( 3.8A)
 1.30A 1w76B-1gqrA:
69.1		 1w76B-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
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 331
HIS A 440
 SAF  A1998 (-3.8A)
SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.1A)
EMM  A1999 (-4.7A)
EMM  A1999 ( 3.8A)
 0.69A 1w76B-1gqrA:
69.1		 1w76B-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 GLY A 122
GLY A 123
GLU A 208
SER A 209
PHE A 345
HIS A 449
 None
 0.36A 1w76B-1gz7A:
41.3		 1w76B-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) 		5 GLY A 123
GLY A 124
SER A 209
PHE A 345
HIS A 449
 None
 1.03A 1w76B-1gz7A:
41.3		 1w76B-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) 		5 GLY A 124
GLU A 208
SER A 209
PHE A 345
HIS A 449
 None
 0.81A 1w76B-1gz7A:
41.3		 1w76B-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.
1j1i META CLEAVAGE
COMPOUND HYDROLASE

(Janthinobacterium) 		PF12697
(Abhydrolase_6) 		5 ASP A  72
TRP A  55
GLY A 117
GLY A 116
SER A 114
 None
 0.99A 1w76B-1j1iA:
13.4		 1w76B-1j1iA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 GLY A  87
GLY A  88
SER A 160
PHE A 218
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 0.98A 1w76B-1jjiA:
3.5		 1w76B-1jjiA:
21.25
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) 		6 GLY A 106
GLY A 107
GLU A 193
SER A 194
PHE A 324
HIS A 435
 None
 0.46A 1w76B-1jmyA:
51.5		 1w76B-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
GLU A 220
SER A 221
HIS A 467
 None
 0.69A 1w76B-1k4yA:
52.1		 1w76B-1k4yA:
35.65
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 151
GLU A 237
SER A 238
PHE A 371
HIS A 480
 SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.99A 1w76B-1qonA:
56.1		 1w76B-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) 		6 GLY A 240
GLU A 237
SER A 238
PHE A 330
PHE A 371
HIS A 480
 None
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.29A 1w76B-1qonA:
56.1		 1w76B-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
GLU A 237
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)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.46A 1w76B-1qonA:
56.1		 1w76B-1qonA:
38.19
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.
1r3d CONSERVED
HYPOTHETICAL PROTEIN
VC1974

(Vibrio cholerae) 		PF12697
(Abhydrolase_6) 		5 ASP A  49
TRP A  31
GLY A  94
GLY A  93
SER A  91
 None
 1.17A 1w76B-1r3dA:
11.0		 1w76B-1r3dA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 ASP A 353
GLY A 464
SER A 217
PHE A 133
PHE A 358
 None
 1.27A 1w76B-1thgA:
37.2		 1w76B-1thgA:
31.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 GLY A 130
GLU A 216
SER A 217
PHE A 358
HIS A 463
 None
 0.54A 1w76B-1thgA:
37.2		 1w76B-1thgA:
31.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 GLY A 131
GLU A 216
SER A 217
PHE A 358
HIS A 463
 None
 0.79A 1w76B-1thgA:
37.2		 1w76B-1thgA:
31.68
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) 		5 GLY A 126
GLY A 127
SER A 210
PHE A 342
HIS A 440
 EDO  A1902 ( 4.3A)
EDO  A1902 (-3.6A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.3A)
EDO  A1902 ( 4.9A)
 0.52A 1w76B-1ukcA:
38.7		 1w76B-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
 0.84A 1w76B-1vkhA:
15.1		 1w76B-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.
1w52 PANCREATIC LIPASE
RELATED PROTEIN 2

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 TRP X  87
GLY X 156
GLY X  78
SER X 154
HIS X 265
 None
None
None
DDQ  X 502 ( 3.7A)
DDQ  X 502 (-4.2A)
 1.21A 1w76B-1w52X:
9.6		 1w76B-1w52X:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A 509
TRP A 388
GLY A 361
GLY A 385
PHE A 382
 None
 1.30A 1w76B-1xkhA:
undetectable		 1w76B-1xkhA:
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.
1yb6 (S)-ACETONE-CYANOHYD
RIN LYASE

(Hevea
brasiliensis) 		PF00561
(Abhydrolase_1) 		5 ASP A  37
TRP A  19
GLY A  82
TYR A  57
SER A  80
 None
None
None
None
MNN  A 300 (-2.5A)
 1.20A 1w76B-1yb6A:
9.9		 1w76B-1yb6A:
17.28
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
PHE A 361
HIS A 471
 TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
 0.62A 1w76B-2fj0A:
49.2		 1w76B-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.
2gff LSRG PROTEIN

(Yersinia pestis) 		PF03992
(ABM) 		5 GLY A  28
GLU A  32
SER A  29
PHE A  22
HIS A  65
 None
 1.07A 1w76B-2gffA:
undetectable		 1w76B-2gffA:
9.78
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 GLY A  91
GLY A  92
GLU A 168
SER A 169
HIS A 306
 4PA  A 369 ( 3.8A)
4PA  A 369 (-3.5A)
None
4PA  A 369 (-1.8A)
4PA  A 369 (-4.8A)
 0.53A 1w76B-2o7rA:
18.1		 1w76B-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
GLU A 168
SER A 169
HIS A 306
 4PA  A 369 (-3.5A)
4PA  A 369 (-3.6A)
None
4PA  A 369 (-1.8A)
4PA  A 369 (-4.8A)
 1.18A 1w76B-2o7rA:
18.1		 1w76B-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.
2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 TRP A  85
GLY A 154
GLY A  76
SER A 152
HIS A 263
 None
 1.19A 1w76B-2pvsA:
9.8		 1w76B-2pvsA:
21.89
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.
2vpt LIPOLYTIC ENZYME

(Ruminiclostridium
thermocellum) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  81
GLY A  55
TYR A 214
SER A  80
HIS A  90
 None
 1.31A 1w76B-2vptA:
3.6		 1w76B-2vptA:
15.72
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A  84
GLY A  85
SER A 157
PHE A 217
HIS A 284
 None
 0.90A 1w76B-2yh2A:
18.2		 1w76B-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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 GLY A 392
GLY A 553
GLU A 396
SER A 440
PHE A 487
 None
 1.20A 1w76B-3abzA:
undetectable		 1w76B-3abzA:
20.76
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 GLY A  78
GLY A  79
SER A 150
PHE A 206
HIS A 273
 DEP  A 304 ( 3.8A)
DEP  A 304 (-3.6A)
DEP  A 304 (-1.5A)
DEP  A 304 (-4.5A)
DEP  A 304 (-4.1A)
 0.92A 1w76B-3ailA:
17.7		 1w76B-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.
3f7w PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Thermobifida
fusca) 		PF03881
(Fructosamin_kin) 		5 ASP A 124
TRP A 123
GLY A 215
GLY A 120
SER A 118
 PEG  A 296 ( 4.3A)
None
None
None
None
 1.22A 1w76B-3f7wA:
undetectable		 1w76B-3f7wA:
21.02
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.
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)
 0.92A 1w76B-3fnbA:
13.8		 1w76B-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.
3gff IROE-LIKE SERINE
HYDROLASE

(Shewanella
oneidensis) 		PF00756
(Esterase) 		5 GLY A 147
GLY A 146
TYR A  89
SER A 170
HIS A 246
 None
None
None
IMD  A 332 (-3.2A)
IMD  A 332 (-3.5A)
 1.30A 1w76B-3gffA:
11.9		 1w76B-3gffA:
21.88
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.
3hxk SUGAR HYDROLASE

(Lactococcus
lactis) 		PF00326
(Peptidase_S9) 		5 ASP A 164
GLY A  52
GLY A  53
SER A 127
HIS A 231
 None
 1.23A 1w76B-3hxkA:
15.6		 1w76B-3hxkA:
20.91
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
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.50A 1w76B-3k9bA:
51.9		 1w76B-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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ASP A 521
GLY A 550
GLY A 551
PHE A 605
HIS A 593
 None
PO4  A 843 ( 4.5A)
None
None
PO4  A 844 (-3.3A)
 1.16A 1w76B-3la4A:
undetectable		 1w76B-3la4A:
21.74
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 1w76B-3nwoA:
13.4		 1w76B-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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		5 GLY B 255
GLY B 257
GLU B 280
SER B 277
PHE B 261
 None
None
HEM  B 802 (-4.4A)
HEM  B 802 ( 4.8A)
None
 1.06A 1w76B-3o0rB:
undetectable		 1w76B-3o0rB:
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.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 ASP A 112
TRP A  97
GLY A 157
GLY A 156
SER A 154
 None
 1.15A 1w76B-3p2mA:
12.0		 1w76B-3p2mA:
20.99
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.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 GLY A  89
GLY A  90
SER A 154
PHE A 255
HIS A 309
 None
 1.12A 1w76B-3p2mA:
12.0		 1w76B-3p2mA:
20.99
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.
3qmq AUTOINDUCER-2 (AI-2)
MODIFYING PROTEIN
LSRG

(Escherichia
coli) 		PF03992
(ABM) 		5 GLY A  28
GLU A  32
SER A  29
PHE A  22
HIS A  65
 None
 1.11A 1w76B-3qmqA:
undetectable		 1w76B-3qmqA:
12.31
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.
3vb0 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Sphingomonas
wittichii) 		PF00903
(Glyoxalase) 		5 GLY A 286
GLY A 239
TYR A 247
GLU A 288
PHE A 224
 None
 1.24A 1w76B-3vb0A:
undetectable		 1w76B-3vb0A:
18.67
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 GLY A  84
GLY A  85
SER A 156
PHE A 213
HIS A 281
 None
 0.90A 1w76B-3wj2A:
15.8		 1w76B-3wj2A:
19.45
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.
3wmr PROLINE
IMINOPEPTIDASE

(Streptomyces
halstedii) 		PF00561
(Abhydrolase_1) 		5 GLY A  38
GLY A  39
TYR A 211
SER A 110
HIS A 277
 None
 1.07A 1w76B-3wmrA:
12.2		 1w76B-3wmrA:
19.15
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.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 20 KDA CHAIN
LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 ASP B 300
GLY A  56
GLY A  57
SER A 150
HIS B 429
 None
S35  A1259 ( 3.7A)
S35  A1259 ( 3.6A)
S35  A1259 ( 3.8A)
S35  A1259 ( 3.9A)
 0.96A 1w76B-4az3B:
undetectable		 1w76B-4az3B:
14.63
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
GLU A 219
SER A 220
PHE A 356
HIS A 465
 None
PGE  A1554 ( 4.7A)
None
1PE  A1553 (-2.9A)
None
None
 0.33A 1w76B-4be9A:
43.7		 1w76B-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) 		5 GLY A 134
GLY A 135
SER A 220
PHE A 356
HIS A 465
 PGE  A1554 ( 4.7A)
1PE  A1553 (-3.3A)
1PE  A1553 (-2.9A)
None
None
 1.04A 1w76B-4be9A:
43.7		 1w76B-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) 		5 GLY A 135
GLU A 219
SER A 220
PHE A 356
HIS A 465
 1PE  A1553 (-3.3A)
None
1PE  A1553 (-2.9A)
None
None
 0.80A 1w76B-4be9A:
43.7		 1w76B-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
 0.74A 1w76B-4c89A:
15.1		 1w76B-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
 0.36A 1w76B-4c89A:
15.1		 1w76B-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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 ASP A  88
TRP A  71
GLY A 133
GLY A 132
SER A 130
 None
None
None
None
VKC  A1294 ( 3.8A)
 1.20A 1w76B-4ccwA:
12.4		 1w76B-4ccwA:
21.47
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.
4ccy CARBOXYLESTERASE
YBFK

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 ASP B  88
TRP B  71
GLY B 133
GLY B 132
SER B 130
 None
 1.12A 1w76B-4ccyB:
12.6		 1w76B-4ccyB:
19.74
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) 		5 ASP A 435
GLY A 335
GLY A 424
SER A 336
PHE A 383
 None
 1.05A 1w76B-4doeA:
undetectable		 1w76B-4doeA:
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.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 ASP A 100
TRP A  82
GLY A 145
GLY A 144
SER A 142
 None
EDO  A 408 (-3.6A)
None
None
SO4  A 402 ( 2.4A)
 1.12A 1w76B-4f0jA:
12.9		 1w76B-4f0jA:
18.42
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
GLU A 217
SER A 218
PHE A 309
HIS A 471
 DPF  A 601 ( 3.8A)
DPF  A 601 (-3.4A)
DPF  A 601 ( 4.2A)
DPF  A 601 (-1.5A)
None
DPF  A 601 (-4.2A)
 0.52A 1w76B-4fnmA:
38.5		 1w76B-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) 		5 GLY A 135
GLY A 136
SER A 218
PHE A 354
HIS A 471
 DPF  A 601 ( 3.8A)
DPF  A 601 (-3.4A)
DPF  A 601 (-1.5A)
None
DPF  A 601 (-4.2A)
 1.01A 1w76B-4fnmA:
38.5		 1w76B-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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 GLY B 386
GLY B 387
SER B 466
PHE B 507
HIS B 578
 HEZ  B 709 ( 4.0A)
HEZ  B 709 (-3.7A)
HEZ  B 709 (-2.4A)
HEZ  B 709 (-4.0A)
None
 1.11A 1w76B-4hxeB:
15.7		 1w76B-4hxeB:
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.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 ASP A 300
GLY A  56
GLY A  57
SER A 150
HIS A 429
 ASP  A 300 ( 0.6A)
GLY  A  56 ( 0.0A)
GLY  A  57 ( 0.0A)
SER  A 150 ( 0.0A)
HIS  A 429 ( 1.0A)
 1.00A 1w76B-4mwtA:
13.4		 1w76B-4mwtA:
21.71
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
TYR X 206
SER X 146
HIS X 278
 2HD  X 401 (-3.5A)
2HD  X 401 (-3.6A)
2HD  X 401 ( 3.6A)
2HD  X 401 (-1.7A)
2HD  X 401 (-3.5A)
 1.06A 1w76B-4n5iX:
19.4		 1w76B-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.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		5 ASP A  46
TRP A  29
GLY A  85
GLY A  84
SER A  82
 None
None
None
None
CL  A 301 (-2.8A)
 1.17A 1w76B-4nmwA:
10.8		 1w76B-4nmwA:
18.33
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 GLY A  79
GLY A  80
SER A 151
PHE A 206
HIS A 274
 None
 0.91A 1w76B-4p9nA:
17.5		 1w76B-4p9nA:
21.96
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 ASP A  72
GLY A 119
TYR A 121
SER A 200
PHE A 331
HIS A 440
 None
 1.23A 1w76B-4qwwA:
61.8		 1w76B-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) 		10 ASP A  72
TRP A  84
GLY A 117
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 331
HIS A 440
 None
 0.46A 1w76B-4qwwA:
61.8		 1w76B-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 117
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 288
HIS A 440
 None
 1.14A 1w76B-4qwwA:
61.8		 1w76B-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) 		6 GLY A 202
GLU A 199
SER A 200
PHE A 290
PHE A 331
HIS A 440
 None
 1.37A 1w76B-4qwwA:
61.8		 1w76B-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.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  88
GLY A  89
SER A 161
PHE A 221
HIS A 292
 None
 0.82A 1w76B-4wy5A:
17.3		 1w76B-4wy5A:
20.15
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 ASP A  70
GLY A 117
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.14A 1w76B-4xiiA:
61.7		 1w76B-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) 		8 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.44A 1w76B-4xiiA:
61.7		 1w76B-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.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		5 GLY A 242
GLY A 244
GLU A 267
SER A 264
PHE A 248
 None
None
HEM  A 504 (-4.5A)
HEM  A 504 ( 4.1A)
None
 1.12A 1w76B-4xydA:
undetectable		 1w76B-4xydA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 1w76B-5a2gA:
42.6		 1w76B-5a2gA:
28.95
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.
5egn ESTERASE

(uncultured
bacterium) 		PF12697
(Abhydrolase_6) 		5 ASP A  52
TRP A  35
GLY A  96
GLY A  95
SER A  93
 None
 1.28A 1w76B-5egnA:
7.2		 1w76B-5egnA:
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.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ASP A 401
GLY A 367
GLY A 365
SER A 368
PHE A 341
 None
 1.30A 1w76B-5fkuA:
undetectable		 1w76B-5fkuA:
18.33
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP C 251
GLY C 280
GLY C 281
PHE C 335
HIS C 323
 None
None
None
None
SO4  C1579 (-3.4A)
 1.21A 1w76B-5fseC:
undetectable		 1w76B-5fseC:
21.98
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
GLU A 203
SER A 204
PHE A 300
HIS A 449
 None
 0.46A 1w76B-5fv4A:
52.5		 1w76B-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) 		5 GLY A 206
GLU A 203
SER A 204
PHE A 300
HIS A 449
 None
 1.22A 1w76B-5fv4A:
52.5		 1w76B-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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		5 GLY A 117
GLY A 118
SER A 190
PHE A  53
HIS A 317
 None
 1.11A 1w76B-5mifA:
18.0		 1w76B-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) 		5 GLY A 108
GLY A 109
SER A 188
PHE A 276
HIS A 445
 7BZ  A 601 ( 3.6A)
7BZ  A 601 (-3.0A)
7BZ  A 601 (-1.4A)
7BZ  A 601 ( 4.9A)
7BZ  A 601 (-3.8A)
 1.09A 1w76B-5thmA:
39.6		 1w76B-5thmA:
31.02
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 GLY A 108
GLY A 109
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.80A 1w76B-5w1uA:
40.9		 1w76B-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
TYR A 282
GLU A 359
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)
None
SEB  A 360 ( 3.3A)
None
None
SEB  A 360 ( 4.2A)
 0.37A 1w76B-5ydjA:
63.4		 1w76B-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.
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)
 0.83A 1w76B-5yhpA:
12.1		 1w76B-5yhpA:
19.43
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 10 ASP A 233
TRP A 245
GLY A 278
GLY A 279
TYR A 282
GLU A 359
SER A 360
PHE A 449
PHE A 490
HIS A 600
 None
 0.38A 1w76B-6arxA:
61.0		 1w76B-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 6 GLY A 362
GLU A 359
SER A 360
PHE A 449
PHE A 490
HIS A 600
 None
 1.31A 1w76B-6arxA:
61.0		 1w76B-6arxA:
13.53