SIMILAR PATTERNS OF AMINO ACIDS FOR 1MAA_C_DMEC997_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 107
TYR A 125
SER A 194
PHE A 324
HIS A 435
 None
 0.73A 1maaC-1aqlA:
46.9		 1maaC-1aqlA:
33.92
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
TYR A 124
TYR A 133
SER A 203
TRP A 286
PHE A 295
HIS A 447
 None
 1.21A 1maaC-1b41A:
62.7		 1maaC-1b41A:
88.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 TRP A  86
GLY A 120
SER A 203
PHE A 338
HIS A 447
 None
 1.07A 1maaC-1b41A:
62.7		 1maaC-1b41A:
88.50
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 TYR A  72
GLY A 122
TYR A 124
SER A 203
TRP A 286
TYR A 337
PHE A 338
TYR A 341
HIS A 447
 None
 1.16A 1maaC-1b41A:
62.7		 1maaC-1b41A:
88.50
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 TYR A  72
TRP A  86
GLY A 121
TYR A 124
TYR A 133
SER A 203
TRP A 286
PHE A 297
TYR A 337
PHE A 338
TYR A 341
HIS A 447
 None
 0.49A 1maaC-1b41A:
62.7		 1maaC-1b41A:
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) 		7 GLY A 121
TYR A 124
TYR A 133
SER A 203
TRP A 286
PHE A 295
HIS A 447
 None
 1.18A 1maaC-1c2oA:
64.0		 1maaC-1c2oA:
99.81
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) 		9 TYR A  72
GLY A 122
TYR A 124
SER A 203
TRP A 286
TYR A 337
PHE A 338
TYR A 341
HIS A 447
 None
 1.09A 1maaC-1c2oA:
64.0		 1maaC-1c2oA:
99.81
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 TYR A  72
TRP A  86
GLY A 121
TYR A 124
TYR A 133
SER A 203
TRP A 286
PHE A 297
TYR A 337
PHE A 338
TYR A 341
HIS A 447
 None
 0.36A 1maaC-1c2oA:
64.0		 1maaC-1c2oA:
99.81
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 118
SER A 189
PHE A 314
HIS A 399
 None
 0.61A 1maaC-1c7jA:
44.6		 1maaC-1c7jA:
34.40
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 GLY A  82
TYR A  79
SER A 155
PHE A 214
HIS A 282
 EPE  A 455 (-3.5A)
None
EPE  A 455 (-1.4A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 1.35A 1maaC-1evqA:
18.0		 1maaC-1evqA:
23.42
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 TRP A  84
GLY A 117
SER A 200
PHE A 331
HIS A 440
 SAF  A1998 (-3.8A)
SAF  A1998 (-3.1A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.7A)
EMM  A1999 ( 3.8A)
 1.25A 1maaC-1gqrA:
61.2		 1maaC-1gqrA:
58.56
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 TYR A  70
GLY A 118
TYR A 121
TYR A 130
SER A 200
TRP A 279
PHE A 288
 None
SAF  A1998 ( 3.5A)
None
None
EMM  A1999 ( 1.4A)
None
EMM  A1999 (-4.3A)
 1.02A 1maaC-1gqrA:
61.2		 1maaC-1gqrA:
58.56
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 TYR A  70
GLY A 119
TYR A 121
SER A 200
TRP A 279
PHE A 331
HIS A 440
 None
EMM  A1999 (-3.5A)
None
EMM  A1999 ( 1.4A)
None
EMM  A1999 (-4.7A)
EMM  A1999 ( 3.8A)
 1.48A 1maaC-1gqrA:
61.2		 1maaC-1gqrA:
58.56
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) 		11 TYR A  70
TRP A  84
GLY A 118
TYR A 121
TYR A 130
SER A 200
TRP A 279
PHE A 290
PHE A 331
TYR A 334
HIS A 440
 None
SAF  A1998 (-3.8A)
SAF  A1998 ( 3.5A)
None
None
EMM  A1999 ( 1.4A)
None
EMM  A1999 (-4.1A)
EMM  A1999 (-4.7A)
None
EMM  A1999 ( 3.8A)
 0.86A 1maaC-1gqrA:
61.2		 1maaC-1gqrA:
58.56
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
TYR A 125
SER A 194
PHE A 324
HIS A 435
 None
 0.57A 1maaC-1jmyA:
46.8		 1maaC-1jmyA:
34.05
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
TYR A 162
SER A 238
PHE A 330
PHE A 371
TYR A 374
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
None
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 0.79A 1maaC-1qonA:
56.9		 1maaC-1qonA:
39.23
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
TYR A 162
SER A 238
TRP A 321
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
None
SO4  A 593 (-1.9A)
None
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.72A 1maaC-1qonA:
56.9		 1maaC-1qonA:
39.23
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 TRP A  83
GLY A 150
TYR A 162
TRP A 321
PHE A 330
TYR A 370
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
None
None
I40  A 997 ( 4.1A)
I40  A 997 (-3.9A)
 1.02A 1maaC-1qonA:
56.9		 1maaC-1qonA:
39.23
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
TYR A 137
SER A 210
PHE A 342
HIS A 440
 EDO  A1902 ( 4.3A)
None
EDO  A1902 (-2.4A)
EDO  A1902 (-4.3A)
EDO  A1902 ( 4.9A)
 1.16A 1maaC-1ukcA:
37.8		 1maaC-1ukcA:
31.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9n MALATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF02615
(Ldh_2) 		5 TYR A  63
SER A 125
TYR A 134
PHE A 282
HIS A 280
 None
 1.35A 1maaC-1v9nA:
undetectable		 1maaC-1v9nA:
20.89
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.
2xmz HYDROLASE,
ALPHA/BETA HYDROLASE
FOLD FAMILY

(Staphylococcus
aureus) 		PF00561
(Abhydrolase_1) 		5 GLY A  22
TYR A  30
SER A  89
PHE A 156
HIS A 243
 None
 1.41A 1maaC-2xmzA:
2.0		 1maaC-2xmzA:
18.81
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.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		5 GLY A 193
SER A 160
TYR A 180
PHE A 217
TYR A 183
 None
 1.14A 1maaC-3kveA:
undetectable		 1maaC-3kveA:
20.42
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
TYR A 144
SER A 220
PHE A 356
HIS A 465
 PGE  A1554 ( 4.7A)
None
1PE  A1553 (-2.9A)
None
None
 0.42A 1maaC-4be9A:
40.4		 1maaC-4be9A:
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		5 GLY A 107
TYR A 110
SER A 174
PHE A 238
HIS A 313
 None
 0.99A 1maaC-4c89A:
8.8		 1maaC-4c89A:
20.73
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 136
TYR A 132
SER A 218
PHE A 309
HIS A 471
 DPF  A 601 (-3.4A)
None
DPF  A 601 (-1.5A)
None
DPF  A 601 (-4.2A)
 1.21A 1maaC-4fnmA:
38.2		 1maaC-4fnmA:
30.94
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 136
TYR A 132
SER A 218
PHE A 354
HIS A 471
 DPF  A 601 (-3.4A)
None
DPF  A 601 (-1.5A)
None
DPF  A 601 (-4.2A)
 1.21A 1maaC-4fnmA:
38.2		 1maaC-4fnmA:
30.94
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 136
TYR A 148
SER A 218
PHE A 309
HIS A 471
 DPF  A 601 (-3.4A)
None
DPF  A 601 (-1.5A)
None
DPF  A 601 (-4.2A)
 0.83A 1maaC-4fnmA:
38.2		 1maaC-4fnmA:
30.94
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.
4l3w LIPASE

(Rhizopus
microsporus) 		PF01764
(Lipase_3) 		5 GLY A 182
TYR A 150
TYR A 127
PHE A 212
TYR A 215
 None
 1.19A 1maaC-4l3wA:
undetectable		 1maaC-4l3wA:
18.99
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.
4l62 TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N)
PF16925
(TetR_C_13) 		5 TYR A 162
SER A 111
TYR A  62
PHE A  63
TYR A  66
 None
 1.22A 1maaC-4l62A:
undetectable		 1maaC-4l62A:
17.15
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.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		5 TYR A 235
GLY A  92
PHE A 228
TYR A 267
PHE A 264
 None
 1.46A 1maaC-4meaA:
11.9		 1maaC-4meaA:
19.82
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 GLY A 118
TYR A 121
TYR A 130
SER A 200
TRP A 279
PHE A 288
HIS A 440
 None
 1.17A 1maaC-4qwwA:
62.3		 1maaC-4qwwA:
63.75
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 119
TYR A 121
SER A 200
TRP A 279
TYR A 330
PHE A 331
TYR A 334
HIS A 440
 None
 1.14A 1maaC-4qwwA:
62.3		 1maaC-4qwwA:
63.75
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
 1.10A 1maaC-4qwwA:
62.3		 1maaC-4qwwA:
63.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		11 TRP A  84
GLY A 118
TYR A 121
TYR A 130
SER A 200
TRP A 279
PHE A 290
TYR A 330
PHE A 331
TYR A 334
HIS A 440
 None
 0.50A 1maaC-4qwwA:
62.3		 1maaC-4qwwA:
63.75
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  90
SER A 164
PHE A 221
TYR A 212
HIS A 291
 None
 1.05A 1maaC-4wy8A:
19.3		 1maaC-4wy8A:
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  90
SER A 164
TRP A 220
TYR A 212
HIS A 291
 None
 1.40A 1maaC-4wy8A:
19.3		 1maaC-4wy8A:
19.39
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 TRP A  82
GLY A 116
TYR A 128
PHE A 329
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
None
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.60A 1maaC-4xiiA:
61.4		 1maaC-4xiiA:
52.10
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 TRP A  82
GLY A 116
TYR A 128
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
None
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.53A 1maaC-4xiiA:
61.4		 1maaC-4xiiA:
52.10
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 GLY A  86
TYR A  83
SER A 159
PHE A 216
HIS A 283
 None
 1.29A 1maaC-4ypvA:
18.9		 1maaC-4ypvA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 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 114
TYR A 127
SER A 200
PHE A 324
HIS A 416
 None
 0.93A 1maaC-5a2gA:
37.4		 1maaC-5a2gA:
28.52
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 125
TYR A 135
SER A 204
PHE A 300
HIS A 449
 None
 0.73A 1maaC-5fv4A:
50.4		 1maaC-5fv4A:
35.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		5 GLY A 591
PHE A 593
PHE A 453
TYR A 469
HIS A 527
 None
 1.34A 1maaC-5fwjA:
undetectable		 1maaC-5fwjA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A

(Homo sapiens) 		PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1) 		5 GLY A 560
PHE A 562
PHE A 422
TYR A 438
HIS A 496
 None
 1.36A 1maaC-5v9pA:
undetectable		 1maaC-5v9pA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 TYR A 189
GLY A 186
PHE A 181
TYR A 131
HIS A 145
 None
 1.13A 1maaC-5vf3A:
undetectable		 1maaC-5vf3A:
22.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 GLY A 108
TYR A 105
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 ( 3.9A)
None
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.32A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 GLY A 109
TYR A 105
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 (-3.0A)
None
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 1.46A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 GLY A 109
TYR A 105
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 (-3.0A)
None
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.17A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 GLY A 109
TYR A 121
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 (-4.2A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.94A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 GLY A 280
TYR A 282
TRP A 441
TYR A 489
PHE A 490
TYR A 493
HIS A 600
 SEB  A 360 ( 3.0A)
None
None
None
None
None
SEB  A 360 ( 4.2A)
 1.19A 1maaC-5ydjA:
59.9		 1maaC-5ydjA:
9.14
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.
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)
 0.92A 1maaC-5ydjA:
59.9		 1maaC-5ydjA:
9.14
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 10 TRP A 245
GLY A 279
TYR A 282
TYR A 291
TRP A 441
PHE A 449
TYR A 489
PHE A 490
TYR A 493
HIS A 600
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.0A)
None
None
None
None
None
None
None
SEB  A 360 ( 4.2A)
 0.63A 1maaC-5ydjA:
59.9		 1maaC-5ydjA:
9.14
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 5 GLY A 386
PHE A 388
PHE A 249
TYR A 264
HIS A 322
 None
 1.39A 1maaC-5yknA:
undetectable		 1maaC-5yknA:
10.71
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 TRP A 245
GLY A 278
SER A 360
TYR A 489
PHE A 490
HIS A 600
 None
 1.01A 1maaC-6arxA:
57.4		 1maaC-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 279
TYR A 282
TYR A 291
SER A 360
PHE A 449
TYR A 489
PHE A 490
TYR A 493
HIS A 600
 None
 0.71A 1maaC-6arxA:
57.4		 1maaC-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 279
TYR A 282
TYR A 291
SER A 360
TRP A 441
PHE A 449
TYR A 489
PHE A 490
HIS A 600
 None
 0.54A 1maaC-6arxA:
57.4		 1maaC-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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 5 GLY A 560
PHE A 562
PHE A 422
TYR A 438
HIS A 496
 None
 1.34A 1maaC-6bgzA:
undetectable		 1maaC-6bgzA:
8.59
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 5 GLY A 576
PHE A 578
PHE A 438
TYR A 454
HIS A 512
 None
 1.32A 1maaC-6ek6A:
undetectable		 1maaC-6ek6A:
9.94