SIMILAR PATTERNS OF AMINO ACIDS FOR 2HA4_B_ACTB601_0

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 GLY A 107
ALA A 195
TRP A 227
HIS A 435
 None
 0.49A 2ha4B-1aqlA:
49.9		 2ha4B-1aqlA:
33.86
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 121
GLY A 122
ALA A 204
TRP A 236
PHE A 297
HIS A 447
 None
 0.20A 2ha4B-1b41A:
63.1		 2ha4B-1b41A:
88.31
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 GLY A 121
GLY A 122
ALA A 204
TRP A 236
PHE A 297
HIS A 447
 None
 0.26A 2ha4B-1c2oA:
63.5		 2ha4B-1c2oA:
99.81
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) 		4 GLY A 123
GLY A 124
ALA A 210
HIS A 449
 CLL  A 801 (-3.3A)
CLL  A 801 (-3.3A)
CLL  A 801 (-4.0A)
CLL  A 801 (-4.8A)
 0.24A 2ha4B-1cleA:
42.6		 2ha4B-1cleA:
31.60
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.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 GLY A 144
GLY A 143
ALA A 146
ALA A 147
 None
 0.61A 2ha4B-1e25A:
undetectable		 2ha4B-1e25A:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1erz N-CARBAMYL-D-AMINO
ACID AMIDOHYDROLASE

(Agrobacterium
sp. KNK712) 		PF00795
(CN_hydrolase) 		5 GLY A 194
GLY A 193
ALA A 233
PHE A 169
HIS A 215
 None
 1.39A 2ha4B-1erzA:
undetectable		 2ha4B-1erzA:
21.11
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 GLY A  83
GLY A  84
ALA A 156
PHE A 214
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.8A)
EPE  A 455 (-4.0A)
 0.90A 2ha4B-1evqA:
18.3		 2ha4B-1evqA:
23.05
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 118
GLY A 119
ALA A 201
TRP A 233
PHE A 290
HIS A 440
 SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
EMM  A1999 (-3.6A)
EMM  A1999 (-4.0A)
EMM  A1999 (-4.1A)
EMM  A1999 ( 3.8A)
 0.62A 2ha4B-1gqrA:
62.0		 2ha4B-1gqrA:
58.60
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 123
GLY A 124
ALA A 210
HIS A 449
 None
 0.36A 2ha4B-1gz7A:
42.0		 2ha4B-1gz7A:
32.99
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 GLY A  88
GLY A  89
ALA A 161
PHE A 218
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.9A)
EPE  A 455 (-4.6A)
 1.03A 2ha4B-1jjiA:
18.9		 2ha4B-1jjiA:
20.99
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) 		4 GLY A 107
ALA A 195
TRP A 227
HIS A 435
 None
 0.27A 2ha4B-1jmyA:
50.3		 2ha4B-1jmyA:
34.35
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) 		4 GLY A 142
GLY A 143
ALA A 222
HIS A 467
 None
 0.44A 2ha4B-1k4yA:
49.9		 2ha4B-1k4yA:
33.62
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.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		4 GLY A  88
GLY A  89
ALA A 161
HIS A 290
 CAC  A 500 (-3.5A)
CAC  A 500 (-3.5A)
CAC  A 500 (-3.2A)
CAC  A 500 (-4.1A)
 0.29A 2ha4B-1lzkA:
19.3		 2ha4B-1lzkA:
23.39
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.
1m32 2-AMINOETHYLPHOSPHON
ATE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00266
(Aminotran_5) 		4 GLY A 263
GLY A 262
ALA A 265
ALA A 266
 None
 0.67A 2ha4B-1m32A:
undetectable		 2ha4B-1m32A:
22.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		6 GLY A 150
GLY A 151
ALA A 239
TRP A 271
PHE A 330
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.4A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.1A)
 0.44A 2ha4B-1qonA:
61.2		 2ha4B-1qonA:
38.59
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		4 GLY A  46
GLY A  47
ALA A  19
PHE A  60
 None
 0.66A 2ha4B-1so8A:
4.1		 2ha4B-1so8A:
19.56
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) 		4 GLY A 127
GLY A 128
ALA A 211
HIS A 440
 EDO  A1902 (-3.6A)
EDO  A1902 (-3.4A)
EDO  A1902 (-4.0A)
EDO  A1902 ( 4.9A)
 0.25A 2ha4B-1ukcA:
38.4		 2ha4B-1ukcA:
31.90
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.
1uvy MYOGLOBIN

(Paramecium
caudatum) 		PF01152
(Bac_globin) 		4 GLY A   8
GLY A   7
ALA A  10
ALA A  11
 None
 0.66A 2ha4B-1uvyA:
undetectable		 2ha4B-1uvyA:
12.26
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 GLY A  82
GLY A  83
ALA A 155
PHE A 214
HIS A 281
 None
 0.90A 2ha4B-2c7bA:
19.2		 2ha4B-2c7bA:
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.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		4 GLY A 144
GLY A 143
ALA A 146
ALA A 147
 None
 0.60A 2ha4B-2cc1A:
undetectable		 2ha4B-2cc1A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dv6 NITRITE REDUCTASE

(Hyphomicrobium
denitrificans) 		PF07732
(Cu-oxidase_3) 		5 GLY A 231
GLY A 230
ALA A 261
ALA A 233
HIS A 259
 None
None
None
None
CU  A 501 (-3.2A)
 1.28A 2ha4B-2dv6A:
undetectable		 2ha4B-2dv6A:
22.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		4 GLY A 146
GLY A 147
ALA A 227
HIS A 471
 TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
 0.29A 2ha4B-2fj0A:
47.8		 2ha4B-2fj0A:
31.40
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A  34
GLY A  36
ALA A  38
ALA A  37
PHE A 453
 None
 1.12A 2ha4B-2fjaA:
undetectable		 2ha4B-2fjaA:
22.04
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A  34
GLY A  36
ALA A 161
ALA A  38
PHE A 453
 None
 1.43A 2ha4B-2fjaA:
undetectable		 2ha4B-2fjaA:
22.04
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.
2kl3 ALR3790 PROTEIN

(Nostoc sp. PCC
7120) 		PF00581
(Rhodanese) 		4 GLY A  93
GLY A  92
ALA A  95
ALA A  96
 None
 0.62A 2ha4B-2kl3A:
undetectable		 2ha4B-2kl3A:
14.18
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.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 232
GLY A 231
ALA A 235
ALA A 236
HIS A 279
 None
 1.40A 2ha4B-2nlxA:
undetectable		 2ha4B-2nlxA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 232
GLY A 231
ALA A 235
ALA A 236
HIS A 286
 None
 1.17A 2ha4B-2nlxA:
undetectable		 2ha4B-2nlxA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		4 GLY A  92
GLY A  93
ALA A 170
HIS A 306
 4PA  A 369 (-3.5A)
4PA  A 369 (-3.6A)
4PA  A 369 (-3.2A)
4PA  A 369 (-4.8A)
 0.25A 2ha4B-2o7rA:
19.5		 2ha4B-2o7rA:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		4 GLY A  34
GLY A  35
ALA A 103
HIS A 247
 PO4  A 273 (-3.3A)
PO4  A 273 (-3.5A)
PO4  A 273 (-3.5A)
PO4  A 273 (-4.0A)
 0.25A 2ha4B-2qruA:
13.8		 2ha4B-2qruA:
20.04
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A  85
GLY A  86
ALA A 158
PHE A 217
HIS A 284
 None
 0.97A 2ha4B-2yh2A:
19.2		 2ha4B-2yh2A:
21.55
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 GLY A  79
GLY A  80
ALA A 151
PHE A 206
HIS A 273
 DEP  A 304 (-3.6A)
DEP  A 304 (-3.5A)
DEP  A 304 (-3.5A)
DEP  A 304 (-4.5A)
DEP  A 304 (-4.1A)
 0.99A 2ha4B-3ailA:
18.8		 2ha4B-3ailA:
20.58
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 GLY A 432
GLY A 433
ALA A 511
ALA A 512
HIS A 625
 None
 0.76A 2ha4B-3azqA:
16.5		 2ha4B-3azqA:
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.
3cwr TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Rhodospirillum
rubrum) 		PF00440
(TetR_N) 		4 GLY A  33
GLY A  32
ALA A  35
ALA A  36
 None
 0.67A 2ha4B-3cwrA:
undetectable		 2ha4B-3cwrA:
17.42
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.
3e77 PHOSPHOSERINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 GLY A 263
GLY A 262
ALA A 265
ALA A 266
 None
 0.63A 2ha4B-3e77A:
undetectable		 2ha4B-3e77A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		4 GLY A  93
GLY A  94
ALA A 166
HIS A 292
 SEP  A 165 ( 3.6A)
SEP  A 165 ( 3.5A)
SEP  A 165 ( 3.2A)
SEP  A 165 ( 3.9A)
 0.21A 2ha4B-3ga7A:
18.4		 2ha4B-3ga7A:
23.17
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.
3hix ALR3790 PROTEIN

(Nostoc sp. PCC
7120) 		PF00581
(Rhodanese) 		4 GLY A 108
GLY A 107
ALA A 110
ALA A 111
 None
 0.68A 2ha4B-3hixA:
undetectable		 2ha4B-3hixA:
12.15
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.
3hxk SUGAR HYDROLASE

(Lactococcus
lactis) 		PF00326
(Peptidase_S9) 		4 GLY A  52
GLY A  53
ALA A 128
HIS A 231
 None
 0.48A 2ha4B-3hxkA:
16.4		 2ha4B-3hxkA:
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.
3k6k ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 GLY A  89
GLY A  90
ALA A 158
HIS A 281
 None
 0.25A 2ha4B-3k6kA:
16.8		 2ha4B-3k6kA:
21.61
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 A1141
GLY A1142
ALA A1222
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-2.9A)
None
 0.68A 2ha4B-3k9bA:
52.1		 2ha4B-3k9bA:
35.54
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
GLY A1143
ALA A1222
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-2.9A)
None
 0.29A 2ha4B-3k9bA:
52.1		 2ha4B-3k9bA:
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.
3let ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE VOPS

(Vibrio
parahaemolyticus) 		PF02661
(Fic) 		4 GLY A 178
GLY A 177
ALA A 180
ALA A 181
 None
 0.65A 2ha4B-3letA:
2.8		 2ha4B-3letA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ne2 PROBABLE AQUAPORIN
AQPM

(Archaeoglobus
fulgidus) 		PF00230
(MIP) 		5 GLY A  23
GLY A  25
ALA A  27
ALA A  26
PHE A 119
 None
 1.46A 2ha4B-3ne2A:
undetectable		 2ha4B-3ne2A:
18.78
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		4 GLY A 223
GLY A 222
ALA A 225
ALA A 226
 BME  A 401 (-4.2A)
BME  A 401 ( 3.7A)
BME  A 401 (-3.5A)
BME  A 401 ( 4.4A)
 0.65A 2ha4B-3od1A:
undetectable		 2ha4B-3od1A:
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.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		4 GLY A  90
GLY A  91
ALA A 163
HIS A 284
 None
 0.28A 2ha4B-3qh4A:
18.3		 2ha4B-3qh4A:
24.63
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.
3qm2 PHOSPHOSERINE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00266
(Aminotran_5) 		4 GLY A 261
GLY A 260
ALA A 263
ALA A 264
 None
 0.62A 2ha4B-3qm2A:
undetectable		 2ha4B-3qm2A:
21.63
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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY X  46
ALA X 123
ALA X 103
TRP X 149
PHE X  57
 None
 1.46A 2ha4B-3rwkX:
undetectable		 2ha4B-3rwkX:
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		5 GLY A  19
GLY A  21
ALA A  23
ALA A  22
PHE A 462
 None
 1.15A 2ha4B-3ukfA:
undetectable		 2ha4B-3ukfA:
20.73
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.
3v9a ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 GLY A  75
GLY A  76
ALA A 145
HIS A 268
 None
 0.67A 2ha4B-3v9aA:
16.5		 2ha4B-3v9aA:
20.51
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.
3v9a ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 GLY A  76
GLY A  77
ALA A 145
HIS A 268
 None
 0.30A 2ha4B-3v9aA:
16.5		 2ha4B-3v9aA:
20.51
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.
3vbj GALACTOSIDE
O-ACETYLTRANSFERASE

(Bacillus cereus) 		PF00132
(Hexapep) 		4 GLY A  71
GLY A  70
ALA A  92
ALA A  91
 None
 0.65A 2ha4B-3vbjA:
undetectable		 2ha4B-3vbjA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		4 GLY A 144
GLY A 143
ALA A 146
ALA A 147
 None
 0.64A 2ha4B-3w4qA:
undetectable		 2ha4B-3w4qA:
18.68
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		4 GLY A  85
GLY A  86
ALA A 157
HIS A 281
 None
 0.25A 2ha4B-3wj2A:
16.7		 2ha4B-3wj2A:
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		4 GLY A 114
GLY A 113
ALA A 116
ALA A 117
 None
 0.63A 2ha4B-4ao7A:
12.5		 2ha4B-4ao7A:
19.77
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 134
GLY A 135
ALA A 221
HIS A 465
 PGE  A1554 ( 4.7A)
1PE  A1553 (-3.3A)
1PE  A1553 (-3.5A)
None
 0.25A 2ha4B-4be9A:
41.5		 2ha4B-4be9A:
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.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		4 GLY A 144
GLY A 143
ALA A 146
ALA A 147
 None
None
None
PG4  A 291 ( 3.9A)
 0.68A 2ha4B-4c6yA:
undetectable		 2ha4B-4c6yA:
19.42
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 GLY A  18
GLY A  20
ALA A  22
ALA A  21
PHE A 438
 None
 1.14A 2ha4B-4dshA:
undetectable		 2ha4B-4dshA:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		6 GLY A 136
GLY A 137
ALA A 219
TRP A 251
PHE A 309
HIS A 471
 DPF  A 601 (-3.4A)
DPF  A 601 (-3.7A)
DPF  A 601 (-3.3A)
DPF  A 601 ( 3.7A)
None
DPF  A 601 (-4.2A)
 0.79A 2ha4B-4fnmA:
38.7		 2ha4B-4fnmA:
30.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		4 GLY A 363
ALA A 367
ALA A 366
HIS A 391
 None
None
None
ZN  A 601 (-2.9A)
 0.66A 2ha4B-4gvlA:
undetectable		 2ha4B-4gvlA:
24.31
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		4 GLY A 363
ALA A 367
ALA A 366
HIS A 391
 None
None
None
ZN  A 606 (-3.3A)
 0.69A 2ha4B-4gx0A:
undetectable		 2ha4B-4gx0A:
24.04
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		4 GLY A  84
GLY A  85
ALA A 111
HIS A 296
 LMS  A 401 (-3.3A)
LMS  A 401 ( 4.7A)
LMS  A 401 (-3.4A)
LMS  A 401 (-4.3A)
 0.60A 2ha4B-4injA:
2.3		 2ha4B-4injA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 4 GLY A  76
GLY A  77
ALA A 164
HIS A 451
 EGR  A 501 (-3.3A)
EGR  A 501 (-3.3A)
EGR  A 501 (-3.7A)
EGR  A 501 (-3.8A)
 0.49A 2ha4B-4j0kA:
19.0		 2ha4B-4j0kA:
22.81
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.
4kry ACETYL ESTERASE

(Escherichia
coli) 		PF07859
(Abhydrolase_3) 		4 GLY A  93
GLY A  94
ALA A 166
HIS A 292
 SEB  A 165 ( 3.6A)
SEB  A 165 ( 3.5A)
SEB  A 165 ( 3.4A)
SEB  A 165 ( 4.1A)
 0.17A 2ha4B-4kryA:
18.1		 2ha4B-4kryA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		4 GLY X  75
GLY X  76
ALA X 147
HIS X 278
 2HD  X 401 (-3.5A)
2HD  X 401 (-3.6A)
2HD  X 401 (-3.4A)
2HD  X 401 (-3.5A)
 0.32A 2ha4B-4n5iX:
20.9		 2ha4B-4n5iX:
23.29
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.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		5 GLY A  87
GLY A  88
ALA A 159
PHE A 216
HIS A 286
 None
 0.94A 2ha4B-4ou4A:
19.1		 2ha4B-4ou4A:
22.50
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 GLY A  80
GLY A  81
ALA A 152
PHE A 206
HIS A 274
 None
 0.99A 2ha4B-4p9nA:
18.5		 2ha4B-4p9nA:
21.83
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.
4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24

(Actinoplanes
teichomyceticus) 		no annotation 4 GLY A 104
GLY A 103
ALA A 106
ALA A 107
 None
 0.60A 2ha4B-4q38A:
undetectable		 2ha4B-4q38A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3k MGS-M1

(unidentified) 		PF00326
(Peptidase_S9)
PF07859
(Abhydrolase_3) 		4 GLY A  42
GLY A  43
ALA A 114
HIS A 201
 F  A 302 (-3.9A)
F  A 302 (-3.4A)
F  A 302 (-3.6A)
None
 0.25A 2ha4B-4q3kA:
18.2		 2ha4B-4q3kA:
19.28
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.
4q5g SERUM AMYLOID A-3
PROTEIN

(Mus musculus) 		PF00277
(SAA) 		5 GLY A  69
GLY A  68
ALA A  72
ALA A  28
PHE A  24
 None
 1.26A 2ha4B-4q5gA:
undetectable		 2ha4B-4q5gA:
13.08
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 118
GLY A 119
ALA A 201
TRP A 233
PHE A 290
HIS A 440
 None
 0.27A 2ha4B-4qwwA:
62.1		 2ha4B-4qwwA:
64.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 GLY A  40
GLY A  39
ALA A  42
ALA A  43
 EDO  A 702 (-3.3A)
None
EDO  A 707 (-3.6A)
None
 0.64A 2ha4B-4wd1A:
2.2		 2ha4B-4wd1A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  89
GLY A  90
ALA A 162
PHE A 221
HIS A 292
 None
 0.95A 2ha4B-4wy5A:
19.3		 2ha4B-4wy5A:
21.79
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 GLY A  90
GLY A  91
ALA A 165
PHE A 221
HIS A 291
 None
 0.94A 2ha4B-4wy8A:
19.4		 2ha4B-4wy8A:
20.47
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 GLY A 115
GLY A 116
ALA A 199
TRP A 231
HIS A 438
 None
40V  A1001 (-3.2A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 1.21A 2ha4B-4xiiA:
65.4		 2ha4B-4xiiA:
52.12
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 GLY A 116
GLY A 117
ALA A 199
TRP A 231
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 0.50A 2ha4B-4xiiA:
65.4		 2ha4B-4xiiA:
52.12
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 GLY A  87
GLY A  88
ALA A 160
PHE A 216
HIS A 283
 None
 0.96A 2ha4B-4ypvA:
19.6		 2ha4B-4ypvA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zrs ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 GLY A  75
GLY A  76
ALA A 152
HIS A 263
 SEB  A 151 ( 3.8A)
SEB  A 151 ( 3.5A)
SEB  A 151 ( 3.4A)
SEB  A 151 ( 4.1A)
 0.16A 2ha4B-4zrsA:
21.7		 2ha4B-4zrsA:
23.60
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		4 GLY A  53
GLY A  54
ALA A 127
HIS A 248
 LEA  A1283 (-3.4A)
LEA  A1283 (-3.5A)
LEA  A1283 (-3.6A)
LEA  A1283 (-4.0A)
 0.18A 2ha4B-5aocA:
18.5		 2ha4B-5aocA:
22.97
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		4 GLY A 253
GLY A 252
ALA A 255
ALA A 256
 None
 0.63A 2ha4B-5cerA:
undetectable		 2ha4B-5cerA:
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.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		4 GLY A 121
GLY A 120
ALA A 123
ALA A 124
 None
 0.66A 2ha4B-5e2eA:
undetectable		 2ha4B-5e2eA:
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.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 GLY A 139
GLY A 138
ALA A 141
ALA A 142
 None
 0.64A 2ha4B-5f83A:
undetectable		 2ha4B-5f83A:
19.85
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.
5f8v AMINOTRANSFERASE,
CLASS V FAMILY
PROTEIN

(Trichomonas
vaginalis) 		PF00266
(Aminotran_5) 		4 GLY A 266
GLY A 265
ALA A 268
ALA A 269
 None
 0.68A 2ha4B-5f8vA:
undetectable		 2ha4B-5f8vA:
19.58
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
GLY A 126
ALA A 205
PHE A 286
HIS A 449
 None
 1.21A 2ha4B-5fv4A:
51.4		 2ha4B-5fv4A:
35.62
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
GLY A 126
ALA A 205
PHE A 300
HIS A 449
 None
 0.65A 2ha4B-5fv4A:
51.4		 2ha4B-5fv4A:
35.62
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 GLY A  77
GLY A  78
ALA A 146
HIS A 269
 None
 0.26A 2ha4B-5gmsA:
5.3		 2ha4B-5gmsA:
21.22
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.
5hw3 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		4 GLY A 145
GLY A 144
ALA A 147
ALA A 148
 None
 0.65A 2ha4B-5hw3A:
undetectable		 2ha4B-5hw3A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		4 GLY A 351
GLY A 350
ALA A 353
ALA A 354
 None
 0.60A 2ha4B-5ijgA:
2.0		 2ha4B-5ijgA:
22.83
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 GLY A   0
GLY A  29
ALA A  27
ALA A  28
HIS A  52
 None
EDO  A 305 (-4.1A)
None
None
None
 1.38A 2ha4B-5ilgA:
undetectable		 2ha4B-5ilgA:
18.66
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  88
ALA A 161
ALA A 162
PHE A 218
HIS A 286
 BAM  A 407 ( 3.9A)
BAM  A 407 (-3.1A)
BAM  A 407 (-3.2A)
None
BAM  A 407 (-3.9A)
 1.17A 2ha4B-5jd4A:
17.8		 2ha4B-5jd4A:
23.30
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  88
GLY A  89
ALA A 161
ALA A 162
HIS A 286
 BAM  A 407 ( 3.9A)
BAM  A 407 (-3.4A)
BAM  A 407 (-3.1A)
BAM  A 407 (-3.2A)
BAM  A 407 (-3.9A)
 0.91A 2ha4B-5jd4A:
17.8		 2ha4B-5jd4A:
23.30
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		6 GLY A  89
GLY A  90
ALA A 161
ALA A 162
PHE A 218
HIS A 286
 BAM  A 407 (-3.4A)
BAM  A 407 (-3.5A)
BAM  A 407 (-3.1A)
BAM  A 407 (-3.2A)
None
BAM  A 407 (-3.9A)
 1.09A 2ha4B-5jd4A:
17.8		 2ha4B-5jd4A:
23.30
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.
5jd5 MGS-MILE3

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A  98
GLY A  99
ALA A 170
PHE A 228
HIS A 295
 OAS  A 169 ( 4.0A)
OAS  A 169 ( 3.0A)
OAS  A 169 ( 3.6A)
None
OAS  A 169 ( 4.1A)
 0.87A 2ha4B-5jd5A:
16.1		 2ha4B-5jd5A:
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		4 GLY A 118
GLY A 119
ALA A 191
HIS A 317
 None
 0.24A 2ha4B-5mifA:
18.8		 2ha4B-5mifA:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 GLY A 108
GLY A 109
ALA A 189
PHE A 113
HIS A 445
 7BZ  A 601 ( 3.6A)
7BZ  A 601 (-3.0A)
7BZ  A 601 (-3.7A)
7BZ  A 601 (-3.7A)
7BZ  A 601 (-3.8A)
 0.97A 2ha4B-5thmA:
39.4		 2ha4B-5thmA:
30.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 GLY A 109
ALA A 189
TRP A 221
HIS A 445
 7BZ  A 601 (-3.0A)
7BZ  A 601 (-3.7A)
None
7BZ  A 601 (-3.8A)
 0.28A 2ha4B-5thmA:
39.4		 2ha4B-5thmA:
30.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 4 GLY A 253
GLY A 254
ALA A 331
HIS A 398
 PEG  A 504 (-3.7A)
None
None
None
 0.61A 2ha4B-5vf5A:
undetectable		 2ha4B-5vf5A:
undetectable
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY A 256
ALA A 296
ALA A 297
TRP A 403
 None
 0.44A 2ha4B-5vm1A:
undetectable		 2ha4B-5vm1A:
23.88
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
GLY A 110
ALA A 192
TRP A 224
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
None
MLI  A 601 (-3.4A)
EPE  A 600 ( 4.0A)
 0.27A 2ha4B-5w1uA:
40.5		 2ha4B-5w1uA:
31.94
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 6 GLY A 279
GLY A 280
ALA A 361
TRP A 393
PHE A 449
HIS A 600
 SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.0A)
SEB  A 360 ( 3.7A)
None
None
SEB  A 360 ( 4.2A)
 0.47A 2ha4B-5ydjA:
64.6		 2ha4B-5ydjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 GLY A 279
ALA A 361
TRP A 393
PHE A 449
HIS A 600
 None
 0.38A 2ha4B-6arxA:
64.7		 2ha4B-6arxA:
undetectable
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 4 GLY A  63
GLY A  62
ALA A 270
HIS A  80
 None
 0.66A 2ha4B-6fv4A:
undetectable		 2ha4B-6fv4A:
undetectable