SIMILAR PATTERNS OF AMINO ACIDS FOR 2ACK_A_EDRA999_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) 		4 GLU A 193
SER A 194
PHE A 324
HIS A 435
 None
 0.65A 2ackA-1aqlA:
51.5		 2ackA-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) 		4 GLY A 107
GLU A 193
PHE A 324
HIS A 435
 None
 0.70A 2ackA-1aqlA:
51.5		 2ackA-1aqlA:
33.63
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 GLY A 121
GLU A 202
SER A 203
PHE A 295
HIS A 447
 None
 1.16A 2ackA-1b41A:
59.8		 2ackA-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) 		5 GLY A 122
TYR A 124
SER A 203
PHE A 338
HIS A 447
 None
 1.27A 2ackA-1b41A:
59.8		 2ackA-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) 		4 GLY A 230
GLU A 202
PHE A 295
HIS A 447
 None
 1.07A 2ackA-1b41A:
59.8		 2ackA-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 TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
PHE A 338
HIS A 447
 None
 0.63A 2ackA-1b41A:
59.8		 2ackA-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) 		5 GLY A 121
GLU A 202
SER A 203
PHE A 295
HIS A 447
 None
 1.18A 2ackA-1c2oA:
60.0		 2ackA-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) 		5 GLY A 122
TYR A 124
SER A 203
PHE A 338
HIS A 447
 None
 1.32A 2ackA-1c2oA:
60.0		 2ackA-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) 		4 GLY A 230
GLU A 202
PHE A 295
HIS A 447
 None
 1.05A 2ackA-1c2oA:
60.0		 2ackA-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) 		5 TRP A  86
GLY A 120
GLU A 202
SER A 203
HIS A 447
 None
 1.34A 2ackA-1c2oA:
60.0		 2ackA-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 TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
PHE A 338
HIS A 447
 None
 0.66A 2ackA-1c2oA:
60.0		 2ackA-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 GLY A 106
GLU A 188
SER A 189
PHE A 314
HIS A 399
 None
 0.87A 2ackA-1c7jA:
45.8		 2ackA-1c7jA:
32.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		5 GLY A 123
GLU A 208
SER A 209
PHE A 345
HIS A 449
 CLL  A 801 (-3.3A)
CLL  A 801 (-3.4A)
CLL  A 801 ( 2.8A)
CLL  A 801 ( 4.9A)
CLL  A 801 (-4.8A)
 0.70A 2ackA-1cleA:
43.2		 2ackA-1cleA:
31.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 123
GLU A 208
SER A 209
PHE A 345
HIS A 449
 None
 0.66A 2ackA-1crlA:
40.9		 2ackA-1crlA:
32.35
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) 		4 GLY A 124
SER A 209
PHE A 345
HIS A 449
 None
 0.90A 2ackA-1crlA:
40.9		 2ackA-1crlA:
32.35
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 GLY A 559
TYR A 561
GLU A 612
SER A 611
 None
 1.09A 2ackA-1dedA:
undetectable		 2ackA-1dedA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		4 GLY A 239
GLU A 235
PHE A 362
HIS A 360
 None
 0.85A 2ackA-1f8rA:
undetectable		 2ackA-1f8rA:
22.51
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.
1gpl RP2 LIPASE

(Cavia porcellus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 TRP A  85
GLY A  76
SER A 152
HIS A 263
 None
 1.16A 2ackA-1gplA:
10.7		 2ackA-1gplA:
23.06
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) 		4 GLY A 118
GLU A 199
SER A 200
PHE A 288
 SAF  A1998 ( 3.5A)
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.3A)
 1.06A 2ackA-1gqrA:
69.7		 2ackA-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 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 331
HIS A 440
 SAF  A1998 (-3.8A)
SAF  A1998 ( 3.5A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.7A)
EMM  A1999 ( 3.8A)
 0.81A 2ackA-1gqrA:
69.7		 2ackA-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) 		5 GLY A 123
GLU A 208
SER A 209
PHE A 345
HIS A 449
 None
 0.81A 2ackA-1gz7A:
43.0		 2ackA-1gz7A:
30.66
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) 		4 GLY A 124
SER A 209
PHE A 345
HIS A 449
 None
 0.89A 2ackA-1gz7A:
43.0		 2ackA-1gz7A:
30.66
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.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		4 GLY A  31
SER A  98
PHE A 162
HIS A 259
 None
 0.98A 2ackA-1hkhA:
11.9		 2ackA-1hkhA:
18.85
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
 0.73A 2ackA-1jmyA:
52.0		 2ackA-1jmyA:
33.33
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 GLY A 559
TYR A 561
GLU A 612
SER A 611
 None
 1.08A 2ackA-1kclA:
undetectable		 2ackA-1kclA:
21.70
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.
1l6j MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 GLY A 100
TYR A  52
GLU A 402
HIS A 401
 None
None
ZN  A 500 ( 4.3A)
ZN  A 500 (-3.4A)
 1.13A 2ackA-1l6jA:
undetectable		 2ackA-1l6jA:
21.26
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.
1oah CYTOCHROME C NITRITE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF02335
(Cytochrom_C552) 		4 GLY A 432
GLU A 428
SER A 430
HIS A 434
 None
None
None
HEM  A1523 (-3.2A)
 1.10A 2ackA-1oahA:
undetectable		 2ackA-1oahA:
21.92
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 149
GLU A 237
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.25A 2ackA-1qonA:
61.0		 2ackA-1qonA:
37.69
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 TRP A  83
GLY A 150
GLU A 237
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.63A 2ackA-1qonA:
61.0		 2ackA-1qonA:
37.69
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.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		4 GLY A 238
GLU A 235
PHE A 362
HIS A 360
 None
 0.90A 2ackA-1tdkA:
undetectable		 2ackA-1tdkA:
22.70
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.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		4 GLY A 239
GLU A 235
PHE A 362
HIS A 360
 None
 0.81A 2ackA-1tdkA:
undetectable		 2ackA-1tdkA:
22.70
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) 		4 GLU A 216
SER A 217
PHE A 358
HIS A 463
 None
 0.61A 2ackA-1thgA:
37.5		 2ackA-1thgA:
31.49
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) 		4 GLY A 131
SER A 217
PHE A 358
HIS A 463
 None
 1.09A 2ackA-1thgA:
37.5		 2ackA-1thgA:
31.49
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		4 GLY A 127
SER A 210
PHE A 342
HIS A 440
 EDO  A1902 (-3.6A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.3A)
EDO  A1902 ( 4.9A)
 0.88A 2ackA-1ukcA:
38.8		 2ackA-1ukcA:
29.59
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		4 TRP A 684
GLY A 595
SER A 616
PHE A 487
 None
 0.81A 2ackA-1x9sA:
undetectable		 2ackA-1x9sA:
20.52
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.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		4 GLY A 159
GLU A 120
PHE A 216
HIS A 117
 None
 1.12A 2ackA-1zmbA:
4.2		 2ackA-1zmbA:
20.44
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) 		4 GLY A 146
SER A 226
PHE A 361
HIS A 471
 TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-4.4A)
TFC  A 600 (-4.2A)
 0.79A 2ackA-2fj0A:
13.7		 2ackA-2fj0A:
29.29
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.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 GLY A 378
GLU A 351
PHE A 231
HIS A 397
 None
 0.84A 2ackA-2ibuA:
undetectable		 2ackA-2ibuA:
20.55
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.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 GLY A 379
GLU A 351
PHE A 231
HIS A 397
 None
 0.87A 2ackA-2ibuA:
undetectable		 2ackA-2ibuA:
20.55
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.
2j7a CYTOCHROME C NITRITE
REDUCTASE NRFA

(Desulfovibrio
vulgaris) 		PF02335
(Cytochrom_C552) 		4 GLY A 432
GLU A 428
SER A 430
HIS A 434
 None
None
None
HEM  A1004 (-3.4A)
 1.10A 2ackA-2j7aA:
undetectable		 2ackA-2j7aA:
19.33
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		4 GLY A  92
GLU A 168
SER A 169
HIS A 306
 4PA  A 369 (-3.5A)
None
4PA  A 369 (-1.8A)
4PA  A 369 (-4.8A)
 0.94A 2ackA-2o7rA:
19.2		 2ackA-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.
2oas 4-HYDROXYBUTYRATE
COENZYME A
TRANSFERASE

(Shewanella
oneidensis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLY A  28
GLU A 134
SER A 132
HIS A  25
 None
 0.89A 2ackA-2oasA:
undetectable		 2ackA-2oasA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 TRP A 152
TYR A  25
SER A 232
HIS A  83
 None
None
FE  A 501 ( 3.8A)
None
 0.83A 2ackA-2ohhA:
undetectable		 2ackA-2ohhA:
21.33
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.
2xws SIROHYDROCHLORIN
COBALTOCHELATASE

(Archaeoglobus
fulgidus) 		PF01903
(CbiX) 		4 GLY A  11
TYR A  17
PHE A  68
HIS A  74
 None
 1.02A 2ackA-2xwsA:
undetectable		 2ackA-2xwsA:
13.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 GLY A 156
GLU A 185
SER A 331
PHE A 258
 HC4  A 400 (-3.6A)
None
HC4  A 400 ( 4.4A)
HC4  A 400 ( 3.9A)
 0.98A 2ackA-3a5rA:
undetectable		 2ackA-3a5rA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		4 GLY A  78
GLU A 130
SER A 132
HIS A  81
 None
None
None
GOL  A 302 (-3.9A)
 0.93A 2ackA-3bczA:
undetectable		 2ackA-3bczA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 313
GLU A 242
SER A 263
PHE A 353
 None
 0.92A 2ackA-3be7A:
undetectable		 2ackA-3be7A:
21.38
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.
3dx5 UNCHARACTERIZED
PROTEIN ASBF

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		4 TYR A 217
GLU A  33
SER A  68
PHE A 104
 DHB  A 289 (-4.3A)
None
None
None
 1.11A 2ackA-3dx5A:
undetectable		 2ackA-3dx5A:
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.
3io5 RECOMBINATION AND
REPAIR PROTEIN

(Escherichia
virus T4) 		PF00154
(RecA) 		4 GLY A 146
GLU A  92
SER A 144
HIS A 195
 None
None
None
PO4  A   1 (-4.1A)
 0.98A 2ackA-3io5A:
undetectable		 2ackA-3io5A:
21.51
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A  67
GLU A  96
PHE A 153
HIS A  95
 None
CD  A 501 (-3.5A)
None
CD  A 501 (-3.4A)
 0.98A 2ackA-3ip1A:
undetectable		 2ackA-3ip1A:
20.86
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) 		4 GLU A1354
SER A1247
PHE A1101
HIS A1468
 None
 1.10A 2ackA-3k9bA:
52.6		 2ackA-3k9bA:
37.06
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) 		4 GLY A1142
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.70A 2ackA-3k9bA:
52.6		 2ackA-3k9bA:
37.06
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.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		4 GLY A 238
GLU A 235
PHE A 362
HIS A 360
 None
 0.98A 2ackA-3kveA:
undetectable		 2ackA-3kveA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		4 GLY A 239
GLU A 235
PHE A 362
HIS A 360
 None
 0.95A 2ackA-3kveA:
undetectable		 2ackA-3kveA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 GLY A  77
GLU A  86
SER A  81
PHE A 494
 None
 1.02A 2ackA-3nbuA:
undetectable		 2ackA-3nbuA:
20.33
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.
3nwo PROLINE
IMINOPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF00561
(Abhydrolase_1) 		4 GLY A  42
TYR A 214
SER A 113
HIS A 280
 EDO  A 312 (-3.7A)
None
GOL  A 311 (-2.8A)
EDO  A 312 (-4.7A)
 1.02A 2ackA-3nwoA:
2.4		 2ackA-3nwoA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ptw MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Clostridium
perfringens) 		PF00698
(Acyl_transf_1) 		4 GLY A   5
SER A  84
PHE A   8
HIS A 100
 None
 1.02A 2ackA-3ptwA:
undetectable		 2ackA-3ptwA:
22.03
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.
3s6c BETA-2-MICROGLOBULIN
, T-CELL SURFACE
GLYCOPROTEIN CD1E,
MEMBRANE-ASSOCIATED

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		4 TRP A  49
GLY A  52
PHE A  45
HIS A  34
 None
 1.09A 2ackA-3s6cA:
undetectable		 2ackA-3s6cA:
22.76
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.
3s7w EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
nitratireducens) 		PF02335
(Cytochrom_C552) 		4 GLY A 489
GLU A 485
SER A 487
HIS A 491
 None
None
None
HEC  A1007 (-3.2A)
 1.13A 2ackA-3s7wA:
undetectable		 2ackA-3s7wA:
19.63
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.
3stp GALACTONATE
DEHYDRATASE,
PUTATIVE

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 154
GLU A 266
PHE A 338
HIS A 316
 None
MG  A 391 (-2.6A)
None
None
 1.06A 2ackA-3stpA:
undetectable		 2ackA-3stpA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 GLY A 241
TYR A 200
SER A 243
HIS A  98
 None
 1.11A 2ackA-3syjA:
undetectable		 2ackA-3syjA:
19.63
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		4 GLY A 489
GLU A 485
SER A 487
HIS A 491
 None
None
None
HEC  A1007 (-3.1A)
 1.16A 2ackA-3ttbA:
2.4		 2ackA-3ttbA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wmr PROLINE
IMINOPEPTIDASE

(Streptomyces
halstedii) 		PF00561
(Abhydrolase_1) 		4 GLY A  39
TYR A 211
SER A 110
HIS A 277
 None
 0.93A 2ackA-3wmrA:
13.1		 2ackA-3wmrA:
19.17
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.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		4 GLY A 125
TYR A 356
SER A 203
HIS A 457
 None
 1.08A 2ackA-3wmtA:
12.9		 2ackA-3wmtA:
21.87
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
GLU A 219
SER A 220
PHE A 356
HIS A 465
 PGE  A1554 ( 4.7A)
None
1PE  A1553 (-2.9A)
None
None
 0.72A 2ackA-4be9A:
42.7		 2ackA-4be9A:
32.62
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) 		4 GLY A 135
SER A 220
PHE A 356
HIS A 465
 1PE  A1553 (-3.3A)
1PE  A1553 (-2.9A)
None
None
 0.84A 2ackA-4be9A:
42.7		 2ackA-4be9A:
32.62
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 GLY A 345
GLU A 318
PHE A 199
HIS A 364
 None
 0.96A 2ackA-4c2kA:
undetectable		 2ackA-4c2kA:
21.38
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) 		4 GLY A 107
SER A 174
PHE A 238
HIS A 313
 None
 1.06A 2ackA-4c89A:
16.3		 2ackA-4c89A:
19.96
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		4 GLY A 107
TYR A 110
SER A 174
HIS A 313
 None
 0.94A 2ackA-4c89A:
16.3		 2ackA-4c89A:
19.96
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) 		4 GLY A 136
GLU A 217
SER A 218
HIS A 471
 DPF  A 601 (-3.4A)
DPF  A 601 ( 4.2A)
DPF  A 601 (-1.5A)
DPF  A 601 (-4.2A)
 0.82A 2ackA-4fnmA:
39.0		 2ackA-4fnmA:
30.65
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 1
ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 2

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		4 GLY B 175
GLU A 166
SER A 169
HIS A 199
 None
 1.13A 2ackA-4hzuB:
2.7		 2ackA-4hzuB:
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.
4nq8 PUTATIVE PERIPLASMIC
SUBSTRATE-BINDING
TRANSPORT PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		4 GLY A 146
TYR A 233
SER A 212
HIS A  39
 None
 1.10A 2ackA-4nq8A:
undetectable		 2ackA-4nq8A:
19.34
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.
4onz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
ovatus) 		PF04041
(Glyco_hydro_130) 		4 GLY A 114
TYR A 357
GLU A 116
SER A 111
 None
 1.03A 2ackA-4onzA:
undetectable		 2ackA-4onzA:
20.11
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.
4ovt TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		4 GLY A 264
TYR A 261
SER A 267
PHE A 117
 None
 1.06A 2ackA-4ovtA:
undetectable		 2ackA-4ovtA:
21.49
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 118
GLU A 199
SER A 200
PHE A 288
HIS A 440
 None
 1.28A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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
TYR A 121
SER A 200
PHE A 331
HIS A 440
 None
 1.24A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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) 		4 GLY A 227
GLU A 199
PHE A 288
HIS A 440
 None
 1.08A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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
GLU A 199
SER A 200
HIS A 440
 None
 1.36A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 331
HIS A 440
 None
 0.71A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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.
4wum CHALCONE SYNTHASE

(Freesia hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 GLY A 163
GLU A 192
SER A 338
PHE A 265
 None
 0.97A 2ackA-4wumA:
undetectable		 2ackA-4wumA:
22.10
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
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.66A 2ackA-4xiiA:
65.3		 2ackA-4xiiA:
52.77
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.
5eo6 COPROPORPHYRINOGEN
OXIDASE

(Acinetobacter
baumannii) 		PF01218
(Coprogen_oxidas) 		4 TRP A 153
GLY A 137
PHE A 180
HIS A 115
 None
None
None
ACT  A 400 (-3.1A)
 1.09A 2ackA-5eo6A:
undetectable		 2ackA-5eo6A:
19.53
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) 		4 GLY A 125
GLU A 203
SER A 204
HIS A 449
 None
 0.73A 2ackA-5fv4A:
53.3		 2ackA-5fv4A:
37.81
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 GLY A 277
GLU A 334
PHE A 294
HIS A 298
 None
 1.02A 2ackA-5gy0A:
undetectable		 2ackA-5gy0A:
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.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN

(Exiguobacterium
antarcticum) 		PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4) 		4 GLY A  29
SER A  96
PHE A 160
HIS A 248
 F50  A 301 (-3.4A)
F50  A 301 (-2.4A)
None
F50  A 301 (-4.0A)
 1.15A 2ackA-5h3hA:
2.1		 2ackA-5h3hA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 GLY A 127
TYR A 267
PHE A 157
HIS A 124
 None
 1.07A 2ackA-5iq0A:
21.1		 2ackA-5iq0A:
22.60
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.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		4 GLY A 234
SER A 266
PHE A 162
HIS A 231
 None
 1.02A 2ackA-5k1rA:
undetectable		 2ackA-5k1rA:
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.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 GLY A 100
TYR A  52
GLU A 402
HIS A 401
 None
None
ZN  A 501 ( 4.2A)
ZN  A 501 (-3.3A)
 1.06A 2ackA-5th6A:
undetectable		 2ackA-5th6A:
17.55
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.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		4 GLY A 238
GLU A 235
PHE A 362
HIS A 360
 None
 0.91A 2ackA-5ts5A:
undetectable		 2ackA-5ts5A:
21.15
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.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		4 GLY A 239
GLU A 235
PHE A 362
HIS A 360
 None
 0.88A 2ackA-5ts5A:
undetectable		 2ackA-5ts5A:
21.15
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.
5uem 354NC37 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 TRP H 103
GLY H 100
TYR H 100
HIS H  35
 None
 1.00A 2ackA-5uemH:
undetectable		 2ackA-5uemH:
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 4 TRP A 245
GLY A 278
GLU A 359
HIS A 600
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.5A)
SEB  A 360 ( 3.3A)
SEB  A 360 ( 4.2A)
 0.94A 2ackA-5ydjA:
65.2		 2ackA-5ydjA:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 TRP A 245
GLY A 279
TYR A 282
GLU A 359
PHE A 490
HIS A 600
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.0A)
None
SEB  A 360 ( 3.3A)
None
SEB  A 360 ( 4.2A)
 0.45A 2ackA-5ydjA:
65.2		 2ackA-5ydjA:
12.11
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.
5ypt STILBENECARBOXYLATE
SYNTHASE 1

(Marchantia
polymorpha) 		no annotation 4 GLY A 165
GLU A 194
SER A 340
PHE A 267
 None
 1.00A 2ackA-5yptA:
undetectable		 2ackA-5yptA:
10.35
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 4 GLY A 257
GLU A 254
PHE A 379
HIS A 377
 None
 0.91A 2ackA-5z2gA:
undetectable		 2ackA-5z2gA:
11.53
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 4 GLY A 258
GLU A 254
PHE A 379
HIS A 377
 None
 0.89A 2ackA-5z2gA:
undetectable		 2ackA-5z2gA:
11.53
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
GLU A 359
SER A 360
HIS A 600
 None
 1.33A 2ackA-6arxA:
64.8		 2ackA-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 7 TRP A 245
GLY A 279
TYR A 282
GLU A 359
SER A 360
PHE A 490
HIS A 600
 None
 0.68A 2ackA-6arxA:
64.8		 2ackA-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.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 4 GLY A 341
GLU A 314
PHE A 196
HIS A 360
 None
 0.91A 2ackA-6bj9A:
undetectable		 2ackA-6bj9A:
10.94
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.
6g21 PROBABLE FERULOYL
ESTERASE B-2

(Aspergillus
oryzae) 		no annotation 4 GLY A  91
TYR A 320
SER A 169
HIS A 421
 None
 1.05A 2ackA-6g21A:
12.7		 2ackA-6g21A:
9.60