SIMILAR PATTERNS OF AMINO ACIDS FOR 1W76_A_GNTA1538_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
GLU A 193
SER A 194
HIS A 435
 None
 1.27A 1w76A-1aqlA:
50.2		 1w76A-1aqlA:
33.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 GLY A 107
GLU A 193
SER A 194
PHE A 324
HIS A 435
 None
 0.63A 1w76A-1aqlA:
50.2		 1w76A-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 226
HIS A 294
 None
 1.06A 1w76A-1azwA:
12.2		 1w76A-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 1w76A-1b41A:
58.6		 1w76A-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 121
GLY A 122
TYR A 124
GLU A 202
SER A 203
PHE A 297
PHE A 338
HIS A 447
 None
 0.57A 1w76A-1b41A:
58.6		 1w76A-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 121
GLY A 122
GLU A 202
SER A 203
PHE A 297
PHE A 295
HIS A 447
 None
 1.10A 1w76A-1b41A:
58.6		 1w76A-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) 		10 ASP A  74
TRP A  86
GLY A 121
GLY A 122
TYR A 124
GLU A 202
SER A 203
PHE A 297
PHE A 338
HIS A 447
 None
 0.50A 1w76A-1c2oA:
58.6		 1w76A-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 121
GLY A 122
GLU A 202
SER A 203
PHE A 297
PHE A 295
HIS A 447
 None
 1.13A 1w76A-1c2oA:
58.6		 1w76A-1c2oA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		5 ASP A  66
GLY A 106
GLU A 188
SER A 189
HIS A 399
 None
 1.01A 1w76A-1c7jA:
44.3		 1w76A-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 106
GLU A 188
SER A 189
PHE A 314
HIS A 399
 None
 0.69A 1w76A-1c7jA:
44.3		 1w76A-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 106
TYR A 109
GLU A 188
SER A 189
HIS A 399
 None
 0.65A 1w76A-1c7jA:
44.3		 1w76A-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 106
TYR A 109
GLU A 188
SER A 189
HIS A 399
 None
 1.38A 1w76A-1c7jA:
44.3		 1w76A-1c7jA:
32.50
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) 		6 GLY A 123
GLU A 208
SER A 209
PHE A 344
PHE A 345
HIS A 449
 None
 0.89A 1w76A-1crlA:
41.0		 1w76A-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) 		6 GLY A 124
GLU A 208
SER A 209
PHE A 344
PHE A 345
HIS A 449
 None
 0.52A 1w76A-1crlA:
41.0		 1w76A-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  83
GLY A  84
SER A 155
PHE A 214
HIS A 282
 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)
 0.91A 1w76A-1evqA:
17.2		 1w76A-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.
1gg3 ERYTHROID MEMBRANE
PROTEIN 4.1R

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 GLY A 188
TYR A 187
PHE A 277
PHE A 278
HIS A 274
 None
 1.31A 1w76A-1gg3A:
undetectable		 1w76A-1gg3A:
19.53
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 ASP A  72
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 330
PHE A 331
 None
SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
SAF  A1998 (-3.1A)
EMM  A1999 (-4.7A)
 1.09A 1w76A-1gqrA:
69.3		 1w76A-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) 		10 ASP A  72
TRP A  84
GLY A 118
GLY A 119
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 330
PHE A 331
 None
SAF  A1998 (-3.8A)
SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.1A)
SAF  A1998 (-3.1A)
EMM  A1999 (-4.7A)
 0.41A 1w76A-1gqrA:
69.3		 1w76A-1gqrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		7 GLY A 118
GLY A 119
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 288
 SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.1A)
EMM  A1999 (-4.3A)
 0.97A 1w76A-1gqrA:
69.3		 1w76A-1gqrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		7 GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 330
PHE A 331
HIS A 440
 SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
SAF  A1998 (-3.1A)
EMM  A1999 (-4.7A)
EMM  A1999 ( 3.8A)
 1.21A 1w76A-1gqrA:
69.3		 1w76A-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) 		10 TRP A  84
GLY A 118
GLY A 119
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 330
PHE A 331
HIS A 440
 SAF  A1998 (-3.8A)
SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.1A)
SAF  A1998 (-3.1A)
EMM  A1999 (-4.7A)
EMM  A1999 ( 3.8A)
 0.65A 1w76A-1gqrA:
69.3		 1w76A-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 123
GLY A 124
GLU A 208
SER A 209
PHE A 345
HIS A 449
 None
 0.44A 1w76A-1gz7A:
41.3		 1w76A-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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ASP A 805
GLY A 282
SER A 825
PHE A 279
HIS A 822
 None
 1.41A 1w76A-1h0hA:
undetectable		 1w76A-1h0hA:
21.52
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  88
GLY A  89
SER A 160
PHE A 218
HIS A 285
 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)
 1.05A 1w76A-1jjiA:
17.5		 1w76A-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 127
GLY A 128
SER A 202
PHE A 259
HIS A 338
 None
 0.61A 1w76A-1jkmA:
19.0		 1w76A-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 107
GLU A 193
SER A 194
PHE A 324
HIS A 435
 None
 0.52A 1w76A-1jmyA:
51.6		 1w76A-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 142
GLY A 143
GLU A 220
SER A 221
HIS A 467
 None
 0.76A 1w76A-1k4yA:
52.2		 1w76A-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.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		5 ASP A 197
GLY A 202
GLU A 207
PHE A  73
HIS A  70
 None
 1.38A 1w76A-1pd5A:
undetectable		 1w76A-1pd5A:
15.99
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 150
GLY A 151
GLU A 237
SER A 238
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
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)
 0.50A 1w76A-1qonA:
56.3		 1w76A-1qonA:
38.19
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
 1.28A 1w76A-1thgA:
37.2		 1w76A-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 127
GLY A 128
SER A 210
PHE A 342
HIS A 440
 EDO  A1902 (-3.6A)
EDO  A1902 (-3.4A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.3A)
EDO  A1902 ( 4.9A)
 0.51A 1w76A-1ukcA:
38.8		 1w76A-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.
1wcz GLUTAMYL
ENDOPEPTIDASE

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 GLY A 166
GLY A 167
SER A 169
PHE A  34
HIS A  51
 None
 1.08A 1w76A-1wczA:
undetectable		 1w76A-1wczA:
17.93
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.
1x2b PROLINE
IMINOPEPTIDASE

(Serratia
marcescens) 		PF00561
(Abhydrolase_1) 		5 GLY A  45
GLY A  46
SER A 113
PHE A 228
HIS A 296
 STX  A 401 (-3.6A)
STX  A 401 (-3.6A)
STX  A 401 (-2.8A)
None
STX  A 401 (-4.5A)
 1.12A 1w76A-1x2bA:
12.3		 1w76A-1x2bA:
19.49
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.
2c1w ENDOU PROTEIN

(Xenopus laevis) 		PF09412
(XendoU) 		5 ASP A 210
GLY A 232
TYR A  33
GLU A 238
PHE A  60
 None
 1.32A 1w76A-2c1wA:
undetectable		 1w76A-2c1wA:
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 GLY A  82
GLY A  83
SER A 154
PHE A 214
HIS A 281
 None
 0.90A 1w76A-2c7bA:
17.6		 1w76A-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.
2fa0 HMG-COA SYNTHASE

(Brassica juncea) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLU A 178
SER A 367
PHE A 244
PHE A 228
PHE A 236
 None
 1.24A 1w76A-2fa0A:
undetectable		 1w76A-2fa0A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 GLY A 146
GLY A 147
SER A 226
PHE A 361
HIS A 471
 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)
 0.68A 1w76A-2fj0A:
49.2		 1w76A-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.
2gqf HYPOTHETICAL PROTEIN
HI0933

(Haemophilus
influenzae) 		PF03486
(HI0933_like) 		5 ASP A 105
GLY A  49
GLY A  48
SER A  46
PHE A  53
 None
None
None
FAD  A 403 (-4.5A)
None
 1.39A 1w76A-2gqfA:
undetectable		 1w76A-2gqfA:
22.26
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 421
GLY A 431
GLY A 433
TYR A 434
SER A 458
 None
 1.38A 1w76A-2ji9A:
undetectable		 1w76A-2ji9A:
22.58
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.
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)
 0.49A 1w76A-2o7rA:
18.2		 1w76A-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.
2pft EXOCYTOSIS PROTEIN

(Mus musculus) 		PF03081
(Exo70) 		5 GLY A 390
GLU A 395
PHE A 351
PHE A 344
PHE A 427
 None
 1.40A 1w76A-2pftA:
undetectable		 1w76A-2pftA:
20.96
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 416
GLY A 426
GLY A 428
TYR A 429
SER A 453
 None
 1.42A 1w76A-2q27A:
undetectable		 1w76A-2q27A:
22.82
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
TYR A  38
SER A 102
HIS A 247
 PO4  A 273 ( 3.7A)
PO4  A 273 (-3.3A)
EDO  A 278 ( 4.6A)
PO4  A 273 (-2.3A)
PO4  A 273 (-4.0A)
 1.07A 1w76A-2qruA:
13.9		 1w76A-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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		5 GLY A  34
GLY A  35
TYR A  38
SER A 102
HIS A 247
 PO4  A 273 (-3.3A)
PO4  A 273 (-3.5A)
EDO  A 278 ( 4.6A)
PO4  A 273 (-2.3A)
PO4  A 273 (-4.0A)
 1.25A 1w76A-2qruA:
13.9		 1w76A-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.
2w3g TWO COMPONENT SENSOR
HISTIDINE KINASE
DEVS (GAF FAMILY
PROTEIN)

(Mycobacterium
tuberculosis) 		PF13185
(GAF_2) 		5 ASP A 127
GLY A 122
GLY A 119
GLU A  87
PHE A 155
 None
None
HEM  A 500 (-3.1A)
None
None
 1.17A 1w76A-2w3gA:
undetectable		 1w76A-2w3gA:
14.95
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A  85
GLY A  86
SER A 157
PHE A 217
HIS A 284
 None
 0.94A 1w76A-2yh2A:
17.9		 1w76A-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.
2z1u HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE

(Desulfovibrio
vulgaris) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ASP A 174
GLY A  65
GLY A  66
PHE A  63
HIS A  74
 None
 1.27A 1w76A-2z1uA:
undetectable		 1w76A-2z1uA:
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.
2z2f LYSOZYME C-2

(Bos taurus) 		PF00062
(Lys) 		5 ASP A  88
GLY A  55
SER A  36
PHE A  57
PHE A   3
 None
 1.26A 1w76A-2z2fA:
undetectable		 1w76A-2z2fA:
11.74
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 GLY A  79
GLY A  80
SER A 150
PHE A 197
HIS A 273
 DEP  A 304 (-3.6A)
DEP  A 304 (-3.5A)
DEP  A 304 (-1.5A)
None
DEP  A 304 (-4.1A)
 0.42A 1w76A-3ailA:
17.6		 1w76A-3ailA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 GLY A  79
GLY A  80
SER A 150
PHE A 206
HIS A 273
 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)
 0.93A 1w76A-3ailA:
17.6		 1w76A-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.
3bin BAND 4.1-LIKE
PROTEIN 3

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 GLY A 297
TYR A 296
PHE A 386
PHE A 387
HIS A 383
 None
 1.38A 1w76A-3binA:
undetectable		 1w76A-3binA:
19.71
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.
3dzm HYPOTHETICAL
CONSERVED PROTEIN

(Thermus
thermophilus) 		no annotation 5 TRP A  59
GLY A 108
GLY A 107
PHE A 105
PHE A 189
 None
None
None
C8E  A 209 ( 4.8A)
None
 1.27A 1w76A-3dzmA:
undetectable		 1w76A-3dzmA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e3a POSSIBLE PEROXIDASE
BPOC

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 TRP A 172
GLY A  23
GLY A  20
PHE A 243
PHE A 242
 MPD  A 265 ( 4.1A)
None
None
MPD  A 265 (-3.7A)
None
 1.22A 1w76A-3e3aA:
12.6		 1w76A-3e3aA:
18.94
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.
3gir AMINOMETHYLTRANSFERA
SE

(Bartonella
henselae) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A  91
GLY A 180
SER A  93
PHE A 188
PHE A 119
 None
 1.36A 1w76A-3girA:
undetectable		 1w76A-3girA:
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.
3gqc DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		5 GLY A 773
GLY A 772
TYR A 718
GLU A 466
PHE A 525
 None
 1.23A 1w76A-3gqcA:
undetectable		 1w76A-3gqcA:
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.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		5 GLY A1874
SER A1937
PHE A2010
PHE A2089
HIS A2088
 None
 1.23A 1w76A-3ilsA:
9.9		 1w76A-3ilsA:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A1142
GLY A1143
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.47A 1w76A-3k9bA:
52.3		 1w76A-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.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		5 ASP A  48
GLY A  63
GLY A  62
PHE A  51
PHE A   6
 None
 0.72A 1w76A-3o7tA:
undetectable		 1w76A-3o7tA:
15.75
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 ASP A 106
GLY A  50
GLY A  49
SER A  47
PHE A  54
 None
None
None
FDA  A 547 (-4.4A)
None
 1.33A 1w76A-3v76A:
undetectable		 1w76A-3v76A:
21.23
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  89
HIS A 281
 None
 1.11A 1w76A-3wj2A:
16.2		 1w76A-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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 GLY A  85
GLY A  86
SER A 156
PHE A 213
HIS A 281
 None
 0.98A 1w76A-3wj2A:
16.2		 1w76A-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 134
GLY A 135
GLU A 219
SER A 220
PHE A 356
HIS A 465
 PGE  A1554 ( 4.7A)
1PE  A1553 (-3.3A)
None
1PE  A1553 (-2.9A)
None
None
 0.36A 1w76A-4be9A:
43.7		 1w76A-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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ASP B2436
GLY B2414
GLY B2413
PHE B2433
PHE B2388
 None
 1.23A 1w76A-4bedB:
undetectable		 1w76A-4bedB:
15.32
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.
4bih UNCHARACTERIZED
LIPOPROTEIN
SAOUHSC_00053

(Staphylococcus
aureus) 		PF04507
(DUF576) 		5 GLY A 159
TYR A  43
PHE A 161
PHE A 243
PHE A 231
 None
 1.14A 1w76A-4bihA:
undetectable		 1w76A-4bihA:
19.39
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.
4eg9 UNCHARACTERIZED
PROTEIN
SAOUHSC_02783

(Staphylococcus
aureus) 		PF04507
(DUF576) 		5 GLY A 163
TYR A  47
PHE A 165
PHE A 247
PHE A 235
 None
 1.12A 1w76A-4eg9A:
undetectable		 1w76A-4eg9A:
18.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		6 GLY A 136
GLY A 137
GLU A 217
SER A 218
PHE A 309
HIS A 471
 DPF  A 601 (-3.4A)
DPF  A 601 (-3.7A)
DPF  A 601 ( 4.2A)
DPF  A 601 (-1.5A)
None
DPF  A 601 (-4.2A)
 0.55A 1w76A-4fnmA:
38.5		 1w76A-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.
4gz8 SEMAPHORIN-3A

(Mus musculus) 		PF01403
(Sema) 		5 GLY A  50
SER A  54
PHE A  48
PHE A  78
HIS A  76
 CA  A 809 ( 4.8A)
None
None
None
NAG  A 801 (-4.2A)
 1.42A 1w76A-4gz8A:
undetectable		 1w76A-4gz8A:
18.57
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.
4i0p HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DM BETA
CHAIN
HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DO ALPHA
CHAIN

(Homo sapiens) 		PF00969
(MHC_II_beta)
PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		5 ASP B  31
GLY C  58
GLY C  59
PHE C  32
HIS C  24
 None
 1.14A 1w76A-4i0pB:
undetectable		 1w76A-4i0pB:
14.15
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.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 ASP A 300
GLY A  57
GLU A 149
SER A 150
HIS A 429
 ASP  A 300 ( 0.6A)
GLY  A  57 ( 0.0A)
GLU  A 149 ( 0.5A)
SER  A 150 ( 0.0A)
HIS  A 429 ( 1.0A)
 1.03A 1w76A-4mwtA:
13.1		 1w76A-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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 GLY A  80
GLY A  81
SER A 151
PHE A 197
HIS A 274
 None
 0.40A 1w76A-4p9nA:
17.5		 1w76A-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) 		5 GLY A  80
GLY A  81
SER A 151
PHE A 206
HIS A 274
 None
 0.96A 1w76A-4p9nA:
17.5		 1w76A-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.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 5 GLY B 177
GLU B 278
SER B 233
PHE B 131
HIS B 235
 SF4  B 401 (-3.6A)
None
SF4  B 401 ( 4.8A)
SF4  B 401 ( 4.6A)
None
 1.39A 1w76A-4pl2B:
2.2		 1w76A-4pl2B:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q7q LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Chitinophaga
pinensis) 		PF13472
(Lipase_GDSL_2) 		5 ASP A 156
GLY A  69
SER A  30
PHE A 151
HIS A 254
 None
PG4  A 301 ( 3.7A)
PG4  A 301 ( 4.4A)
PG4  A 301 (-4.6A)
None
 1.40A 1w76A-4q7qA:
2.2		 1w76A-4q7qA:
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 ASP A  27
GLY A  21
GLY A  20
SER A 147
PHE A 213
 None
 1.27A 1w76A-4qiqA:
undetectable		 1w76A-4qiqA:
22.82
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
GLU A 199
SER A 200
PHE A 331
HIS A 440
 None
 1.12A 1w76A-4qwwA:
61.8		 1w76A-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 118
GLY A 119
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 331
HIS A 440
 None
 0.43A 1w76A-4qwwA:
61.8		 1w76A-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 GLY A 117
GLY A 118
SER A 200
PHE A 331
HIS A 440
 None
 1.36A 1w76A-4qwwA:
61.8		 1w76A-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 118
GLY A 119
GLU A 199
SER A 200
PHE A 290
PHE A 288
HIS A 440
 None
 1.12A 1w76A-4qwwA:
61.8		 1w76A-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
SER A 200
PHE A 331
HIS A 440
 None
 1.27A 1w76A-4qwwA:
61.8		 1w76A-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.
4s1j PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Leishmania
donovani) 		PF00160
(Pro_isomerase) 		5 ASP A  73
GLY A  88
GLY A  87
PHE A  76
PHE A  31
 None
 0.75A 1w76A-4s1jA:
undetectable		 1w76A-4s1jA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 GLY A 451
GLY A 450
GLU A 783
SER A 767
HIS A 768
 None
 1.29A 1w76A-4txgA:
undetectable		 1w76A-4txgA:
20.98
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.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  89
GLY A  90
SER A 161
PHE A 221
HIS A 292
 None
 0.89A 1w76A-4wy5A:
17.3		 1w76A-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) 		8 ASP A  70
TRP A  82
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.55A 1w76A-4xiiA:
61.8		 1w76A-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.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16
HT593.1 GP120

(Homo sapiens;
Human
immunodeficiency
virus) 		PF00516
(GP120)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY G 458
GLY G 459
PHE H 111
PHE H 102
HIS H 103
 None
 1.30A 1w76A-4ye4G:
undetectable		 1w76A-4ye4G:
21.27
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  87
GLY A  88
SER A 159
PHE A 207
HIS A 283
 None
 0.36A 1w76A-4ypvA:
17.8		 1w76A-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) 		5 GLY A  88
SER A 159
PHE A 216
PHE A 207
HIS A 283
 None
 0.97A 1w76A-4ypvA:
17.8		 1w76A-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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A 468
GLY A 469
TYR A 496
GLU A 198
PHE A 431
 None
 1.16A 1w76A-5f7sA:
undetectable		 1w76A-5f7sA:
21.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		6 GLY A 125
GLY A 126
GLU A 203
SER A 204
PHE A 300
HIS A 449
 None
 0.49A 1w76A-5fv4A:
52.6		 1w76A-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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ASP A  28
GLY A  77
GLY A  78
SER A 145
HIS A 269
 None
 1.29A 1w76A-5gmsA:
15.6		 1w76A-5gmsA:
21.32
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.
5mv9 UNCONVENTIONAL
MYOSIN-VIIA

(Homo sapiens) 		PF00373
(FERM_M)
PF00784
(MyTH4) 		5 TRP A1838
GLY A1842
GLU A1891
PHE A1844
PHE A1800
 None
 1.41A 1w76A-5mv9A:
undetectable		 1w76A-5mv9A:
24.23
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 113
HIS A 445
 7BZ  A 601 ( 3.6A)
7BZ  A 601 (-3.0A)
7BZ  A 601 (-1.4A)
7BZ  A 601 (-3.7A)
7BZ  A 601 (-3.8A)
 0.95A 1w76A-5thmA:
39.5		 1w76A-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.
5u9c DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Yersinia
enterocolitica) 		PF04321
(RmlD_sub_bind) 		5 GLY A 157
GLY A 158
TYR A 283
PHE A 287
HIS A 163
 None
 0.98A 1w76A-5u9cA:
3.1		 1w76A-5u9cA:
17.65
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 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)
 0.89A 1w76A-5w1uA:
40.8		 1w76A-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 279
GLY A 280
TYR A 282
GLU A 359
PHE A 449
PHE A 490
HIS A 600
 None
SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.0A)
None
SEB  A 360 ( 3.3A)
None
None
SEB  A 360 ( 4.2A)
 0.45A 1w76A-5ydjA:
63.5		 1w76A-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 228
HIS A 297
 FLC  A 402 ( 3.8A)
FLC  A 402 (-3.4A)
FLC  A 402 (-2.5A)
None
FLC  A 402 (-3.7A)
 1.04A 1w76A-5yhpA:
12.0		 1w76A-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 7 ASP A 233
GLY A 279
TYR A 282
GLU A 359
SER A 360
PHE A 490
HIS A 600
 None
 1.11A 1w76A-6arxA:
61.2		 1w76A-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 279
TYR A 282
GLU A 359
SER A 360
PHE A 449
PHE A 490
HIS A 600
 None
 0.40A 1w76A-6arxA:
61.2		 1w76A-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 5 GLY A 278
GLY A 279
SER A 360
PHE A 490
HIS A 600
 None
 1.36A 1w76A-6arxA:
61.2		 1w76A-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 5 TRP A 245
GLY A 278
SER A 360
PHE A 490
HIS A 600
 None
 1.18A 1w76A-6arxA:
61.2		 1w76A-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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 5 GLY A 500
GLY A 502
SER A 504
PHE A 247
PHE A 305
 None
 1.13A 1w76A-6d35A:
undetectable		 1w76A-6d35A:
9.80