SIMILAR PATTERNS OF AMINO ACIDS FOR 4EY7_B_E20B605_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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		6 GLY A 122
GLU A 202
SER A 203
TYR A 337
TYR A 341
HIS A 447
 None
 1.11A 4ey7B-1b41A:
64.3		 4ey7B-1b41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 TRP A  86
GLY A 120
TYR A 337
HIS A 447
GLY A 448
 None
 0.98A 4ey7B-1b41A:
64.3		 4ey7B-1b41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		8 TRP A  86
GLY A 121
GLU A 202
SER A 203
TYR A 337
TYR A 341
HIS A 447
GLY A 448
 None
 0.91A 4ey7B-1b41A:
64.3		 4ey7B-1b41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		8 TYR A  72
GLY A 122
TYR A 124
GLU A 202
SER A 203
TRP A 286
TYR A 341
HIS A 447
 None
 1.16A 4ey7B-1b41A:
64.3		 4ey7B-1b41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		10 TYR A  72
TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
TRP A 286
TYR A 341
HIS A 447
GLY A 448
 None
 0.53A 4ey7B-1b41A:
64.3		 4ey7B-1b41A:
100.00
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.
1bo4 PROTEIN (SERRATIA
MARCESCENS
AMINOGLYCOSIDE-3-N-A
CETYLTRANSFERASE)

(Serratia
marcescens) 		PF00583
(Acetyltransf_1) 		5 TYR A 109
TYR A  94
SER A  73
TYR A  66
GLY A  68
 SPD  A 200 (-3.8A)
None
None
None
None
 1.29A 4ey7B-1bo4A:
undetectable		 4ey7B-1bo4A:
14.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		6 TRP A  86
GLY A 120
SER A 203
TYR A 337
HIS A 447
GLY A 448
 None
 1.28A 4ey7B-1c2oA:
62.8		 4ey7B-1c2oA:
88.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		7 TYR A  72
GLY A 122
SER A 203
TRP A 286
TYR A 337
TYR A 341
HIS A 447
 None
 1.26A 4ey7B-1c2oA:
62.8		 4ey7B-1c2oA:
88.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		7 TYR A  72
GLY A 122
TYR A 124
SER A 203
TRP A 286
TYR A 341
HIS A 447
 None
 1.22A 4ey7B-1c2oA:
62.8		 4ey7B-1c2oA:
88.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		10 TYR A  72
TRP A  86
GLY A 121
GLU A 202
SER A 203
TRP A 286
TYR A 337
TYR A 341
HIS A 447
GLY A 448
 None
 0.77A 4ey7B-1c2oA:
62.8		 4ey7B-1c2oA:
88.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		10 TYR A  72
TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
TRP A 286
TYR A 341
HIS A 447
GLY A 448
 None
 0.59A 4ey7B-1c2oA:
62.8		 4ey7B-1c2oA:
88.50
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
SER A 155
TRP A 213
HIS A 282
GLY A 283
 EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
None
EPE  A 455 (-4.0A)
None
 1.39A 4ey7B-1evqA:
18.2		 4ey7B-1evqA:
22.79
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) 		6 GLY A 119
TYR A 121
SER A 200
TRP A 279
TYR A 334
HIS A 440
 EMM  A1999 (-3.5A)
None
EMM  A1999 ( 1.4A)
None
None
EMM  A1999 ( 3.8A)
 1.40A 4ey7B-1gqrA:
61.1		 4ey7B-1gqrA:
57.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		9 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
HIS A 440
GLY A 441
 SAF  A1998 (-3.8A)
SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
None
None
EMM  A1999 ( 3.8A)
SAF  A1998 ( 4.6A)
 0.84A 4ey7B-1gqrA:
61.1		 4ey7B-1gqrA:
57.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		6 TYR A  70
GLY A 119
TYR A 121
SER A 200
TRP A 279
TYR A 334
 None
EMM  A1999 (-3.5A)
None
EMM  A1999 ( 1.4A)
None
None
 1.28A 4ey7B-1gqrA:
61.1		 4ey7B-1gqrA:
57.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		9 TYR A  70
TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
GLY A 441
 None
SAF  A1998 (-3.8A)
SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
None
None
SAF  A1998 ( 4.6A)
 0.69A 4ey7B-1gqrA:
61.1		 4ey7B-1gqrA:
57.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 123
GLU A 208
SER A 209
HIS A 449
GLY A 450
 None
 0.73A 4ey7B-1gz7A:
41.4		 4ey7B-1gz7A:
31.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 124
GLU A 208
SER A 209
HIS A 449
GLY A 450
 None
 0.97A 4ey7B-1gz7A:
41.4		 4ey7B-1gz7A:
31.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jfx 1,4-BETA-N-ACETYLMUR
AMIDASE M1

(Streptomyces
coelicolor) 		PF01183
(Glyco_hydro_25) 		5 GLY A  60
TYR A  31
TRP A 161
TYR A 127
GLY A  85
 None
 1.22A 4ey7B-1jfxA:
undetectable		 4ey7B-1jfxA:
18.52
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
SER A 160
TRP A 217
HIS A 285
GLY A 286
 EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
None
EPE  A 455 (-4.6A)
None
 1.35A 4ey7B-1jjiA:
18.8		 4ey7B-1jjiA:
21.36
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
GLU A 220
SER A 221
HIS A 467
GLY A 468
 None
 0.90A 4ey7B-1k4yA:
49.0		 4ey7B-1k4yA:
33.80
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
TRP A 321
HIS A 480
 SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
SO4  A 593 (-4.1A)
 1.42A 4ey7B-1qonA:
57.1		 4ey7B-1qonA:
36.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		7 TRP A  83
GLY A 150
GLU A 237
SER A 238
TRP A 321
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.80A 4ey7B-1qonA:
57.1		 4ey7B-1qonA:
36.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		7 TRP A  83
GLY A 150
GLU A 237
SER A 238
TYR A 374
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.61A 4ey7B-1qonA:
57.1		 4ey7B-1qonA:
36.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		6 TYR A  73
TRP A  83
GLU A 237
SER A 238
HIS A 480
GLY A 481
 None
I40  A 997 (-3.2A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 1.49A 4ey7B-1qonA:
57.1		 4ey7B-1qonA:
36.69
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
HIS A 463
GLY A 464
 None
 1.27A 4ey7B-1thgA:
36.8		 4ey7B-1thgA:
31.74
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 GLY A  82
SER A 154
TRP A 213
HIS A 281
GLY A 282
 None
 1.30A 4ey7B-2c7bA:
19.0		 4ey7B-2c7bA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		5 TYR A 302
GLY A 256
GLU A 259
HIS A 252
GLY A 264
 None
None
ZN  A 411 ( 4.2A)
ZN  A 412 (-3.3A)
ZN  A 412 ( 4.6A)
 1.34A 4ey7B-2wknA:
undetectable		 4ey7B-2wknA:
23.91
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A  85
SER A 157
TRP A 216
HIS A 284
GLY A 285
 None
 1.34A 4ey7B-2yh2A:
19.2		 4ey7B-2yh2A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 GLY A  79
SER A 150
TRP A 205
HIS A 273
GLY A 274
 DEP  A 304 (-3.6A)
DEP  A 304 (-1.5A)
None
DEP  A 304 (-4.1A)
None
 1.46A 4ey7B-3ailA:
18.6		 4ey7B-3ailA:
21.98
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
GLU A1220
SER A1221
HIS A1468
GLY A1469
 WW2  A 193 (-3.8A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
 1.14A 4ey7B-3k9bA:
46.7		 4ey7B-3k9bA:
36.13
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
GLU A1220
SER A1221
HIS A1468
GLY A1469
 WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
 0.69A 4ey7B-3k9bA:
46.7		 4ey7B-3k9bA:
36.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A 465
TRP A  71
GLY A  95
GLU A  44
GLY A  46
 FDA  A 547 (-4.0A)
FDA  A 547 (-4.2A)
FDA  A 547 (-3.2A)
FDA  A 547 (-2.7A)
None
 1.41A 4ey7B-3ljpA:
undetectable		 4ey7B-3ljpA:
23.61
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		5 TYR B 268
GLY B 273
GLU B 280
HIS B 207
GLY B 252
 None
None
HEM  B 802 (-4.4A)
FE  B 803 (-3.3A)
None
 1.14A 4ey7B-3o0rB:
undetectable		 4ey7B-3o0rB:
21.59
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  17
TRP A 143
TYR A 130
HIS A 342
GLY A 314
 None
 1.26A 4ey7B-3rcyA:
undetectable		 4ey7B-3rcyA:
22.71
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.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		5 GLY A 122
TYR A 125
SER A 149
TYR A 205
GLY A  29
 SAM  A 300 (-4.5A)
None
None
None
None
 1.34A 4ey7B-3t7sA:
2.0		 4ey7B-3t7sA:
19.12
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.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		5 GLY A 114
TYR A 152
SER A 118
TYR A 190
GLY A  10
 GDP  A 999 (-3.3A)
GDP  A 999 ( 4.4A)
None
GDP  A 999 (-3.4A)
GDP  A 999 (-3.5A)
 1.48A 4ey7B-3zidA:
3.7		 4ey7B-3zidA:
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.
4kkd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 TRP A 593
GLY A 482
GLU A 666
SER A 664
GLY A 592
 None
 1.39A 4ey7B-4kkdA:
undetectable		 4ey7B-4kkdA:
23.74
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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 TYR A 282
SER A 253
TRP A  14
TYR A 151
GLY A 227
 None
None
None
SO4  A 402 ( 4.5A)
None
 1.30A 4ey7B-4mlcA:
2.6		 4ey7B-4mlcA:
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.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		5 GLY X 101
TYR X  56
TRP X  37
HIS X  73
GLY X  74
 None
None
None
None
2HD  X 401 (-3.9A)
 1.50A 4ey7B-4n5iX:
20.4		 4ey7B-4n5iX:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oo2 CHLOROPHENOL-4-MONOO
XYGENASE

(Streptomyces
globisporus) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 GLY A 118
TYR A 461
SER A 120
TYR A 382
HIS A 308
 None
 1.40A 4ey7B-4oo2A:
undetectable		 4ey7B-4oo2A:
24.45
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 GLY A  80
SER A 151
TRP A 205
HIS A 274
GLY A 275
 None
 1.41A 4ey7B-4p9nA:
18.4		 4ey7B-4p9nA:
21.21
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 119
SER A 200
TYR A 330
TYR A 334
HIS A 440
 None
 1.12A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		6 GLY A 119
TYR A 121
SER A 200
TRP A 279
TYR A 334
HIS A 440
 None
 1.29A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		6 TRP A  84
GLY A 117
SER A 200
TYR A 330
HIS A 440
GLY A 441
 None
 1.36A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		8 TRP A  84
GLY A 118
GLU A 199
SER A 200
TYR A 330
TYR A 334
HIS A 440
GLY A 441
 None
 0.99A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		9 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
HIS A 440
GLY A 441
 None
 0.77A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		6 GLY A  90
SER A 164
TRP A 220
TYR A 212
HIS A 291
GLY A 292
 None
 1.45A 4ey7B-4wy8A:
19.3		 4ey7B-4wy8A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  91
SER A 164
TYR A 212
HIS A 291
GLY A 292
 None
 1.15A 4ey7B-4wy8A:
19.3		 4ey7B-4wy8A:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 TRP A  82
GLY A 115
SER A 198
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.1A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 1.30A 4ey7B-4xiiA:
61.3		 4ey7B-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		7 TRP A  82
GLY A 116
GLU A 197
SER A 198
TYR A 332
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.71A 4ey7B-4xiiA:
61.3		 4ey7B-4xiiA:
52.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 GLY A  87
SER A 159
TRP A 215
HIS A 283
GLY A 284
 None
 1.39A 4ey7B-4ypvA:
19.5		 4ey7B-4ypvA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 TYR A 158
GLY A 160
TYR A 261
HIS A 163
GLY A 107
 None
 1.34A 4ey7B-5e9aA:
undetectable		 4ey7B-5e9aA:
23.35
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
GLU A 203
SER A 204
HIS A 449
GLY A 450
 None
 0.72A 4ey7B-5fv4A:
50.4		 4ey7B-5fv4A:
36.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i20 UNCHARACTERIZED
PROTEIN

(Starkeya
novella) 		PF00892
(EamA) 		5 TYR A  78
GLY A  71
TYR A 166
TRP A 163
TYR A 226
 OLC  A 301 (-4.3A)
None
None
OLC  A 301 (-3.8A)
None
 1.48A 4ey7B-5i20A:
undetectable		 4ey7B-5i20A:
22.75
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 TYR A 450
TYR A  80
GLU A  50
SER A  51
GLY A  26
 None
None
FAD  A 601 (-2.7A)
FAD  A 601 (-3.0A)
FAD  A 601 (-3.5A)
 1.33A 4ey7B-5nitA:
undetectable		 4ey7B-5nitA:
22.49
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.
5o7g ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
coagulans) 		no annotation 5 TYR A 279
GLY A 138
SER A 117
TYR A  45
GLY A  37
 None
 1.39A 4ey7B-5o7gA:
17.0		 4ey7B-5o7gA:
9.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 TRP A1169
TYR A1193
GLU A1123
SER A1272
HIS A1173
 None
None
PRO  A1602 (-2.8A)
PRO  A1602 (-3.3A)
PRO  A1602 ( 4.5A)
 1.48A 4ey7B-5vadA:
undetectable		 4ey7B-5vadA:
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TRP A 245
GLY A 278
TYR A 489
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.5A)
None
SEB  A 360 ( 4.2A)
None
 0.72A 4ey7B-5ydjA:
60.0		 4ey7B-5ydjA:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
GLY A 279
GLU A 359
TRP A 441
TYR A 489
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.3A)
None
None
SEB  A 360 ( 4.2A)
None
 0.75A 4ey7B-5ydjA:
60.0		 4ey7B-5ydjA:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
GLY A 279
GLU A 359
TYR A 489
TYR A 493
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.3A)
None
None
SEB  A 360 ( 4.2A)
None
 0.95A 4ey7B-5ydjA:
60.0		 4ey7B-5ydjA:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
GLY A 279
TYR A 282
GLU A 359
TRP A 441
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.0A)
None
SEB  A 360 ( 3.3A)
None
SEB  A 360 ( 4.2A)
None
 0.52A 4ey7B-5ydjA:
60.0		 4ey7B-5ydjA:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
GLY A 279
TYR A 282
GLU A 359
TYR A 493
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.0A)
None
SEB  A 360 ( 3.3A)
None
SEB  A 360 ( 4.2A)
None
 0.58A 4ey7B-5ydjA:
60.0		 4ey7B-5ydjA:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 TYR A 488
TYR A 631
TRP A 485
HIS A 614
GLY A 613
 None
 1.13A 4ey7B-5z0uA:
undetectable		 4ey7B-5z0uA:
9.04
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
GLU A 359
SER A 360
TRP A 441
TYR A 489
HIS A 600
GLY A 601
 None
 0.97A 4ey7B-6arxA:
57.1		 4ey7B-6arxA:
9.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
GLU A 359
SER A 360
TYR A 489
TYR A 493
HIS A 600
GLY A 601
 None
 1.13A 4ey7B-6arxA:
57.1		 4ey7B-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 6 TRP A 245
GLY A 278
SER A 360
TYR A 489
HIS A 600
GLY A 601
 None
 1.30A 4ey7B-6arxA:
57.1		 4ey7B-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 8 TRP A 245
GLY A 279
TYR A 282
GLU A 359
SER A 360
TRP A 441
HIS A 600
GLY A 601
 None
 0.78A 4ey7B-6arxA:
57.1		 4ey7B-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 8 TRP A 245
GLY A 279
TYR A 282
GLU A 359
SER A 360
TYR A 493
HIS A 600
GLY A 601
 None
 0.68A 4ey7B-6arxA:
57.1		 4ey7B-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.
6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN

(Homo sapiens) 		no annotation 5 TRP A 423
GLY A 357
TYR A 362
HIS A 491
GLY A 490
 AYE  A 601 (-3.0A)
AYE  A 601 ( 4.0A)
None
AYE  A 601 (-4.1A)
AYE  A 601 (-3.8A)
 1.21A 4ey7B-6ei1A:
undetectable		 4ey7B-6ei1A:
7.28