SIMILAR PATTERNS OF AMINO ACIDS FOR 5GQB_A_GCSA603

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bhg BETA-GLUCURONIDASE

(Homo sapiens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 PHE A  59
GLY A  58
ARG A 167
TRP A 133
 None
 0.95A 5gqbA-1bhgA:
12.6		 5gqbA-1bhgA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cnv CONCANAVALIN B

(Canavalia
ensiformis) 		PF00704
(Glyco_hydro_18) 		4 PHE A  35
GLY A  85
TYR A 189
TRP A 265
 None
 0.49A 5gqbA-1cnvA:
9.8		 5gqbA-1cnvA:
21.30
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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		7 PHE A  71
GLY A 130
GLU A 171
TYR A 239
ASP A 240
ARG A 295
TRP A 378
 None
 0.59A 5gqbA-1d2kA:
43.6		 5gqbA-1d2kA:
23.18
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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		6 PHE A  71
GLY A 130
TRP A 131
GLU A 171
ASP A 240
ARG A 295
 None
 0.99A 5gqbA-1d2kA:
43.6		 5gqbA-1d2kA:
23.18
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.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		8 PHE A  51
GLY A  96
TRP A  97
GLU A 144
TYR A 214
ASP A 215
ARG A 294
TRP A 403
 NGO  A 502 (-4.7A)
NGO  A 502 ( 3.8A)
NAG  A 503 ( 3.7A)
NGO  A 502 (-3.4A)
NGO  A 502 (-4.5A)
NGO  A 502 ( 3.1A)
NAG  A 503 ( 4.9A)
NGO  A 502 (-3.5A)
 0.42A 5gqbA-1e6zA:
34.8		 5gqbA-1e6zA:
23.92
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.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		7 PHE A  58
GLY A  98
TRP A  99
TYR A 206
ASP A 207
ARG A 263
TRP A 352
 NAG  A  -2 (-4.7A)
NAG  A  -2 ( 4.2A)
NAG  A   1 (-3.6A)
NAG  A  -1 (-4.6A)
NAG  A  -1 (-3.7A)
NAG  A  -2 (-4.2A)
NAG  A  -1 (-3.5A)
 0.70A 5gqbA-1hjvA:
43.5		 5gqbA-1hjvA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		8 PHE A  58
GLY A  98
TRP A  99
GLU A 140
TYR A 212
ASP A 213
ARG A 269
TRP A 358
 AMI  A1388 (-4.8A)
AMI  A1388 ( 3.7A)
NAA  A1390 ( 4.3A)
AMI  A1388 ( 3.3A)
AMI  A1388 (-4.8A)
AMI  A1388 ( 2.9A)
NAA  A1389 (-3.2A)
AMI  A1388 (-3.5A)
 0.53A 5gqbA-1hkkA:
44.5		 5gqbA-1hkkA:
22.05
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.
1hup MANNOSE-BINDING
PROTEIN

(Homo sapiens) 		PF00059
(Lectin_C) 		4 PHE A 175
GLY A 173
GLU A 172
ASP A 199
 None
None
CA  A 301 ( 2.3A)
None
 1.05A 5gqbA-1hupA:
undetectable		 5gqbA-1hupA:
14.99
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.
1id8 METHYLASPARTATE
MUTASE S CHAIN

(Clostridium
tetanomorphum) 		PF02310
(B12-binding) 		4 GLY A  92
ASP A 114
ARG A  75
TRP A 101
 DBI  A 139 ( 3.5A)
None
None
None
 0.83A 5gqbA-1id8A:
undetectable		 5gqbA-1id8A:
14.13
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		8 PHE A  77
GLY A 163
TRP A 164
GLU A 204
TYR A 279
ASP A 280
ARG A 340
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.7A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.38A 5gqbA-1itxA:
46.6		 5gqbA-1itxA:
29.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jfd INORGANIC
PYROPHOSPHATASE

(Escherichia
coli) 		PF00719
(Pyrophosphatase) 		4 GLY A  56
GLU A  20
ASP A  42
ARG A  43
 None
None
None
SO4  A 176 (-2.8A)
 0.94A 5gqbA-1jfdA:
undetectable		 5gqbA-1jfdA:
19.09
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		8 PHE A  55
GLY A 135
TRP A 136
GLU A 192
TYR A 271
ASP A 272
ARG A 330
TRP A 412
 None
None
None
GOL  A 530 (-3.9A)
GOL  A 530 (-4.8A)
GOL  A 530 (-3.7A)
None
None
 0.32A 5gqbA-1kfwA:
41.3		 5gqbA-1kfwA:
26.51
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.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		4 GLY A   8
GLU A  13
TYR A 259
TRP A 255
 None
None
NAG  A 903 (-4.7A)
NAG  A 904 ( 3.6A)
 0.95A 5gqbA-1kr1A:
10.2		 5gqbA-1kr1A:
17.68
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.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		4 PHE A  32
GLY A  80
TYR A 183
TRP A 255
 NAG  A 904 (-4.3A)
NAG  A 904 (-3.7A)
NAG  A 904 (-4.6A)
NAG  A 904 ( 3.6A)
 0.42A 5gqbA-1kr1A:
10.2		 5gqbA-1kr1A:
17.68
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 PHE A  37
GLY A  77
TYR A 185
ARG A 242
TRP A 331
 None
 0.99A 5gqbA-1ljyA:
43.3		 5gqbA-1ljyA:
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.
1q40 MRNA EXPORT FACTOR
MEX67
MRNA TRANSPORT
REGULATOR MTR2

(Candida
albicans) 		PF10429
(Mtr2)
no annotation 		4 GLY A  56
GLU B 416
ASP B 476
ARG B 499
 None
 1.04A 5gqbA-1q40A:
undetectable		 5gqbA-1q40A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 PHE A  77
GLY A  79
TRP A  83
ASP A 482
 None
None
I40  A 997 (-3.2A)
None
 0.93A 5gqbA-1qonA:
undetectable		 5gqbA-1qonA:
22.02
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.
1ta3 XYLANASE INHIBITOR
PROTEIN I

(Triticum
aestivum) 		PF00704
(Glyco_hydro_18) 		4 PHE A  37
GLY A  79
TYR A 189
TRP A 256
 None
 0.82A 5gqbA-1ta3A:
10.6		 5gqbA-1ta3A:
19.82
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.
1vf8 SECRETORY PROTEIN

(Mus musculus) 		PF00704
(Glyco_hydro_18) 		5 PHE A  37
GLY A  77
TRP A  78
ASP A 192
TRP A 339
 None
 0.85A 5gqbA-1vf8A:
43.6		 5gqbA-1vf8A:
23.83
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.
1vf8 SECRETORY PROTEIN

(Mus musculus) 		PF00704
(Glyco_hydro_18) 		5 PHE A  37
GLY A  77
TRP A  78
TYR A 191
ASP A 192
 None
 0.54A 5gqbA-1vf8A:
43.6		 5gqbA-1vf8A:
23.83
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		8 PHE A  58
GLY A  98
TRP A  99
GLU A 140
TYR A 212
ASP A 213
ARG A 269
TRP A 360
 None
 0.48A 5gqbA-1wb0A:
44.2		 5gqbA-1wb0A:
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.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		8 PHE A  38
GLY A  98
TRP A  99
GLU A 139
TYR A 207
ASP A 208
ARG A 263
TRP A 346
 None
 0.66A 5gqbA-1wnoA:
43.3		 5gqbA-1wnoA:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		5 PHE A  32
GLY A  80
GLU A 127
TYR A 182
TRP A 253
 None
 0.52A 5gqbA-2gsjA:
10.1		 5gqbA-2gsjA:
20.60
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.
2le1 UNCHARACTERIZED
PROTEIN

(Thermobifida
fusca) 		PF10604
(Polyketide_cyc2) 		4 TRP A  18
GLU A  70
ASP A  23
ARG A  29
 None
 1.00A 5gqbA-2le1A:
undetectable		 5gqbA-2le1A:
13.92
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.
2p1g PUTATIVE XYLANASE

(Bacteroides
fragilis) 		PF07313
(DUF1460) 		4 GLY A 185
TRP A 188
ASP A 193
ARG A 255
 None
 0.89A 5gqbA-2p1gA:
undetectable		 5gqbA-2p1gA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		5 PHE A  60
GLY A 109
GLU A 157
TYR A 214
TRP A 285
 H33  A1311 (-4.3A)
H33  A1311 ( 3.8A)
H33  A1311 (-3.7A)
H33  A1311 (-4.7A)
H33  A1311 (-3.5A)
 0.60A 5gqbA-2uy3A:
18.7		 5gqbA-2uy3A:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		8 PHE A 191
GLY A 274
TRP A 275
GLU A 315
TYR A 390
ASP A 391
ARG A 446
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 (-3.3A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
SN5  A1566 ( 3.5A)
NGT  A1565 ( 3.5A)
 0.25A 5gqbA-2wk2A:
65.8		 5gqbA-2wk2A:
72.96
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		4 PHE A 529
GLY A 537
ASP A 355
ARG A 405
 None
None
B3P  A1773 (-2.8A)
B3P  A1773 (-3.9A)
 1.00A 5gqbA-2xsgA:
undetectable		 5gqbA-2xsgA:
22.33
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.
2xvn ASPERGILLUS
FUMIGATUS CHITINASE
A1

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 PHE A  60
GLY A 123
GLU A 174
TYR A 232
TRP A 312
 None
None
KLS  A1338 (-2.9A)
KLS  A1338 (-4.8A)
KLS  A1338 (-3.5A)
 0.62A 5gqbA-2xvnA:
19.8		 5gqbA-2xvnA:
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.
2y8v CLASS III CHITINASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		4 GLY A  92
GLU A 132
TYR A 196
TRP A 262
 None
 0.50A 5gqbA-2y8vA:
11.0		 5gqbA-2y8vA:
20.61
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		7 PHE A  58
GLY A  98
TRP A  99
GLU A 140
TYR A 212
ASP A 213
TRP A 360
 CX9  A1398 (-4.5A)
CX9  A1398 (-3.5A)
CX9  A1399 ( 3.4A)
CX9  A1398 (-3.7A)
CX9  A1398 (-4.3A)
CX9  A1398 ( 4.4A)
CX9  A1398 ( 3.3A)
 0.45A 5gqbA-2ybuA:
43.9		 5gqbA-2ybuA:
24.33
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.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 4 PHE A 448
GLY A 489
GLU A 526
ASP A 588
 GOL  A   2 (-4.6A)
GOL  A   2 ( 3.7A)
GOL  A   2 (-3.7A)
None
 0.72A 5gqbA-3afbA:
19.5		 5gqbA-3afbA:
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.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 5 PHE A 448
GLY A 489
GLU A 526
ASP A 636
TRP A 664
 GOL  A   2 (-4.6A)
GOL  A   2 ( 3.7A)
GOL  A   2 (-3.7A)
GOL  A 718 ( 3.8A)
GOL  A   2 (-3.8A)
 0.67A 5gqbA-3afbA:
19.5		 5gqbA-3afbA:
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.
3ahx BETA-GLUCOSIDASE A

(Clostridium
cellulovorans) 		PF00232
(Glyco_hydro_1) 		4 GLY A 244
TYR A 343
ASP A 342
ARG A 341
 None
 1.05A 5gqbA-3ahxA:
13.1		 5gqbA-3ahxA:
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		5 GLY A  74
GLU A 115
TYR A 183
ASP A 184
TRP A 326
 None
EDO  A 357 (-2.8A)
EDO  A 359 ( 4.7A)
EDO  A 359 (-4.5A)
EDO  A 357 (-4.4A)
 1.31A 5gqbA-3alfA:
41.4		 5gqbA-3alfA:
20.97
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		6 PHE A  31
GLY A  73
GLU A 115
TYR A 183
ASP A 184
TRP A 326
 EDO  A 357 (-4.8A)
EDO  A 357 ( 4.2A)
EDO  A 357 (-2.8A)
EDO  A 359 ( 4.7A)
EDO  A 359 (-4.5A)
EDO  A 357 (-4.4A)
 0.45A 5gqbA-3alfA:
41.4		 5gqbA-3alfA:
20.97
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.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		5 GLY A  75
GLU A 116
TYR A 184
ASP A 185
TRP A 324
 None
 1.35A 5gqbA-3aquA:
41.1		 5gqbA-3aquA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		6 PHE A  32
GLY A  74
GLU A 116
TYR A 184
ASP A 185
TRP A 324
 None
 0.56A 5gqbA-3aquA:
41.1		 5gqbA-3aquA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		4 GLY A 380
GLU A 411
ASP A 383
ARG A 392
 294  A 801 (-3.5A)
294  A 801 (-2.7A)
None
None
 1.02A 5gqbA-3b8zA:
undetectable		 5gqbA-3b8zA:
16.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		7 PHE A 192
GLY A 274
TRP A 275
TYR A 391
ASP A 392
ARG A 463
TRP A 570
 None
 0.39A 5gqbA-3b9eA:
38.1		 5gqbA-3b9eA:
50.17
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.
3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821

(Thermoplasma
acidophilum) 		PF00583
(Acetyltransf_1) 		4 TRP A  55
GLU A  77
TYR A 193
ASP A 177
 EDO  A 269 (-4.9A)
EDO  A 269 ( 4.8A)
None
None
 1.06A 5gqbA-3c26A:
undetectable		 5gqbA-3c26A:
19.72
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.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans) 		no annotation 4 GLY A 603
TRP A 591
GLU A 606
ASP A 540
 None
 1.06A 5gqbA-3c2gA:
undetectable		 5gqbA-3c2gA:
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.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		5 PHE A  37
GLY A  84
GLU A 121
TYR A 181
TRP A 271
 None
 0.47A 5gqbA-3ebvA:
4.9		 5gqbA-3ebvA:
18.96
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.
3fnd CHITINASE

(Bacteroides
thetaiotaomicron) 		PF00704
(Glyco_hydro_18) 		5 PHE A  79
GLU A 157
TYR A 213
ASP A 214
TRP A 322
 None
 0.46A 5gqbA-3fndA:
29.7		 5gqbA-3fndA:
21.82
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.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		8 PHE A  74
GLY A 133
TRP A 134
GLU A 174
TYR A 242
ASP A 243
ARG A 298
TRP A 381
 None
 0.65A 5gqbA-3g6lA:
43.8		 5gqbA-3g6lA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gfh ETHANOLAMINE
UTILIZATION PROTEIN
EUTL

(Escherichia
coli) 		PF00936
(BMC) 		4 GLY A  72
GLU A  83
TYR A  49
ASP A  46
 None
 1.06A 5gqbA-3gfhA:
undetectable		 5gqbA-3gfhA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		4 PHE A  84
GLY A 126
TYR A 229
TRP A 321
 None
EDO  A 369 ( 3.7A)
EDO  A 361 (-4.5A)
EDO  A 361 (-4.5A)
 0.46A 5gqbA-3ianA:
10.2		 5gqbA-3ianA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lo0 INORGANIC
PYROPHOSPHATASE

(Ehrlichia
chaffeensis) 		PF00719
(Pyrophosphatase) 		4 GLY A  57
GLU A  21
ASP A  43
ARG A  44
 None
None
None
SO4  A 173 ( 4.8A)
 1.06A 5gqbA-3lo0A:
undetectable		 5gqbA-3lo0A:
15.34
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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		4 PHE A  66
GLY A 108
TYR A 227
TRP A 333
 None
 0.81A 5gqbA-3n11A:
9.9		 5gqbA-3n11A:
20.70
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		8 PHE A  58
GLY A 113
TRP A 114
GLU A 153
TYR A 222
ASP A 223
ARG A 278
TRP A 395
 None
 0.51A 5gqbA-3qokA:
36.8		 5gqbA-3qokA:
24.62
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		4 GLY A  55
GLU A  19
ASP A  41
ARG A  42
 None
 1.04A 5gqbA-3tr4A:
undetectable		 5gqbA-3tr4A:
17.11
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.
3u27 MICROCOMPARTMENTS
PROTEIN

(Leptotrichia
buccalis) 		no annotation 4 GLY C  71
GLU C  82
TYR C  48
ASP C  45
 GOL  C 302 ( 4.5A)
GOL  C 302 (-2.9A)
GOL  C 303 (-4.7A)
GOL  C 303 ( 3.1A)
 0.92A 5gqbA-3u27C:
undetectable		 5gqbA-3u27C:
17.43
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.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		8 PHE A  61
GLY A 106
TRP A 107
GLU A 148
TYR A 217
ASP A 218
ARG A 274
TRP A 372
 None
 0.54A 5gqbA-3w4rA:
43.0		 5gqbA-3w4rA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wl1 CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		8 PHE A  61
GLY A 106
TRP A 107
GLU A 148
TYR A 217
ASP A 218
ARG A 274
TRP A 372
 NAG  A 501 (-4.5A)
NAG  A 501 (-3.6A)
NAG  A 505 ( 3.4A)
NAG  A 501 (-2.7A)
NAG  A 501 (-4.6A)
NAG  A 501 ( 3.2A)
NAG  A 505 ( 3.6A)
NAG  A 501 (-3.7A)
 0.52A 5gqbA-3wl1A:
43.0		 5gqbA-3wl1A:
24.03
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		4 GLY A 262
TYR A 325
ASP A 326
ARG A 381
 None
 0.89A 5gqbA-4a5qA:
36.3		 5gqbA-4a5qA:
26.94
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		7 PHE A 117
GLY A 214
TRP A 215
GLU A 256
ASP A 326
ARG A 381
TRP A 486
 None
 0.92A 5gqbA-4a5qA:
36.3		 5gqbA-4a5qA:
26.94
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 PHE A 117
GLY A 214
TYR A 325
ASP A 326
ARG A 381
 None
 0.75A 5gqbA-4a5qA:
36.3		 5gqbA-4a5qA:
26.94
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.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		4 GLY X  88
GLU X 131
TYR X 195
TRP X 259
 ZN  X1291 ( 4.5A)
ZN  X1291 (-2.5A)
ACT  X1288 (-4.7A)
ACT  X1288 (-4.0A)
 0.54A 5gqbA-4ac1X:
10.6		 5gqbA-4ac1X:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4axn CHITINASE C1

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		4 PHE A  66
GLY A 105
TYR A 208
TRP A 300
 None
None
ACT  A1331 (-4.6A)
ACT  A1330 ( 4.1A)
 0.50A 5gqbA-4axnA:
19.7		 5gqbA-4axnA:
20.97
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.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 PHE A  63
GLY A 103
ASP A 213
TRP A 360
 None
NAG  A 401 (-3.5A)
NAG  A 401 (-2.8A)
NAG  A 401 (-3.7A)
 0.49A 5gqbA-4ay1A:
43.1		 5gqbA-4ay1A:
21.60
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 GLY A 414
GLU A 415
ASP A 480
TRP A 477
 None
 1.02A 5gqbA-4b9yA:
12.0		 5gqbA-4b9yA:
21.45
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		7 PHE A 200
GLY A 307
TRP A 308
GLU A 349
ASP A 425
ARG A 484
TRP A 582
 None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.93A 5gqbA-4dwsA:
36.8		 5gqbA-4dwsA:
29.76
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		7 PHE A 200
GLY A 307
TRP A 308
GLU A 349
TYR A 424
ASP A 425
ARG A 484
 None
 0.67A 5gqbA-4dwsA:
36.8		 5gqbA-4dwsA:
29.76
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.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 PHE A 351
GLY A 310
ASP A 545
ARG A 543
 AMP  A 601 (-3.3A)
None
None
None
 0.99A 5gqbA-4eq5A:
undetectable		 5gqbA-4eq5A:
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		4 PHE A  70
GLY A 117
TYR A 220
TRP A 311
 NAG  A 608 (-4.4A)
NAG  A 608 ( 3.9A)
NAG  A 609 (-4.4A)
NAG  A 608 (-3.5A)
 0.41A 5gqbA-4mb5A:
20.0		 5gqbA-4mb5A:
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.
4mnm CHITINASE A

(Cycas revoluta) 		PF00704
(Glyco_hydro_18) 		6 PHE A  34
GLY A  76
TYR A 191
ASP A 192
ARG A 242
TRP A 327
 None
 0.66A 5gqbA-4mnmA:
40.9		 5gqbA-4mnmA:
24.12
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.
4n42 XYLANASE AND
ALPHA-AMYLASE
INHIBITOR PROTEIN
ISOFORM III

(Scadoxus
multiflorus) 		PF00704
(Glyco_hydro_18) 		4 GLY A  76
GLU A 125
TYR A 181
TRP A 253
 None
 0.99A 5gqbA-4n42A:
10.1		 5gqbA-4n42A:
19.75
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.
4n42 XYLANASE AND
ALPHA-AMYLASE
INHIBITOR PROTEIN
ISOFORM III

(Scadoxus
multiflorus) 		PF00704
(Glyco_hydro_18) 		4 PHE A  34
GLY A  76
TYR A 181
TRP A 253
 None
 0.52A 5gqbA-4n42A:
10.1		 5gqbA-4n42A:
19.75
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.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		8 PHE A  58
GLY A 113
TRP A 114
GLU A 153
TYR A 222
ASP A 223
ARG A 278
TRP A 395
 None
ACT  A 502 ( 4.6A)
None
ACT  A 502 (-3.8A)
GOL  A 504 ( 4.6A)
GOL  A 504 (-2.7A)
GOL  A 504 (-4.1A)
GOL  A 504 (-3.7A)
 0.51A 5gqbA-4q22A:
36.9		 5gqbA-4q22A:
25.52
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.
4q68 UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF07313
(DUF1460) 		4 GLY A 189
TRP A 192
ASP A 197
ARG A 259
 None
 0.88A 5gqbA-4q68A:
undetectable		 5gqbA-4q68A:
18.63
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		4 GLU A 149
TYR A 213
ASP A 214
TRP A 349
 None
 0.46A 5gqbA-4q6tA:
31.1		 5gqbA-4q6tA:
22.09
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.
4s3j CORTICAL-LYTIC
ENZYME

(Bacillus cereus) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		5 PHE A 138
GLU A 219
TYR A 283
ASP A 284
TRP A 407
 None
 1.09A 5gqbA-4s3jA:
28.6		 5gqbA-4s3jA:
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.
4tlh ETHANOLAMINE
UTILIZATION PROTEIN
EUTL

(Clostridium
perfringens) 		PF00936
(BMC) 		4 GLY A  71
GLU A  82
TYR A  48
ASP A  45
 None
 0.94A 5gqbA-4tlhA:
undetectable		 5gqbA-4tlhA:
16.76
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.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		4 PHE A  32
GLY A  80
GLU A 127
TYR A 183
 None
 0.47A 5gqbA-4toqA:
10.2		 5gqbA-4toqA:
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		8 PHE A 190
GLY A 254
TRP A 255
GLU A 314
TYR A 397
ASP A 398
ARG A 466
TRP A 603
 None
None
None
CS  A 803 (-2.9A)
CS  A 812 (-4.4A)
CS  A 812 (-4.0A)
None
CS  A 812 ( 4.2A)
 0.60A 5gqbA-4txgA:
32.5		 5gqbA-4txgA:
24.76
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		5 GLY A  73
GLU A 116
TYR A 185
ASP A 186
TRP A 317
 MPD  A 401 (-3.9A)
MPD  A 401 (-2.7A)
MPD  A 401 (-4.8A)
None
MPD  A 401 (-3.8A)
 1.13A 5gqbA-4uriA:
39.7		 5gqbA-4uriA:
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		6 PHE A  30
GLY A  72
GLU A 116
TYR A 185
ASP A 186
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-4.8A)
None
MPD  A 401 (-3.8A)
 0.59A 5gqbA-4uriA:
39.7		 5gqbA-4uriA:
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 8 PHE B  78
GLY B 141
TRP B 142
GLU B 183
TYR B 250
ASP B 251
ARG B 307
TRP B 388
 None
None
MLI  B 501 ( 3.8A)
None
None
MLI  B 501 ( 4.7A)
None
None
 0.67A 5gqbA-4w5uB:
45.4		 5gqbA-4w5uB:
29.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		4 PHE A  70
GLY A 117
TYR A 220
TRP A 311
 None
None
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.52A 5gqbA-4w5zA:
9.9		 5gqbA-4w5zA:
21.91
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.
4wiw GLYCOSIDE HYDROLASE
FAMILY 18

(Desulfitobacterium
hafniense) 		PF00704
(Glyco_hydro_18) 		4 GLU A 460
TYR A 532
ASP A 533
TRP A 666
 CA  A 704 (-2.8A)
None
None
None
 0.47A 5gqbA-4wiwA:
29.0		 5gqbA-4wiwA:
21.82
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		4 GLY A 219
TRP A 322
ASP A 183
ARG A 189
 None
None
TYL  A 502 ( 4.8A)
None
 1.06A 5gqbA-4yjiA:
undetectable		 5gqbA-4yjiA:
24.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		8 PHE A 181
GLY A 264
TRP A 265
GLU A 305
TYR A 381
ASP A 382
ARG A 437
TRP A 528
 58Y  A 605 (-4.5A)
58Y  A 605 ( 4.2A)
NAG  A 603 ( 3.9A)
58Y  A 605 (-3.1A)
58Y  A 605 (-4.9A)
58Y  A 605 ( 3.0A)
58Y  A 605 ( 3.3A)
58Y  A 605 (-3.7A)
 0.39A 5gqbA-5df0A:
62.6		 5gqbA-5df0A:
61.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		8 PHE A 184
GLY A 267
TRP A 268
GLU A 308
TYR A 383
ASP A 384
ARG A 439
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
GLU  A 308 ( 0.6A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
ARG  A 439 ( 0.6A)
TRP  A 532 ( 0.5A)
 0.27A 5gqbA-5gprA:
67.9		 5gqbA-5gprA:
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		8 PHE B 590
GLY B 651
TRP B 652
GLU B 691
TYR B 766
ASP B 767
ARG B 818
TRP B 905
 None
 0.53A 5gqbA-5gztB:
41.7		 5gqbA-5gztB:
20.14
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		8 PHE B1077
GLY B1137
TRP B1138
GLU B1177
TYR B1252
ASP B1253
ARG B1306
TRP B1396
 None
 0.79A 5gqbA-5gztB:
41.7		 5gqbA-5gztB:
20.14
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		8 PHE A 590
GLY A 651
TRP A 652
GLU A 691
TYR A 766
ASP A 767
ARG A 818
TRP A 905
 None
 0.63A 5gqbA-5gzuA:
43.2		 5gqbA-5gzuA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		8 PHE A1077
GLY A1137
TRP A1138
GLU A1177
TYR A1252
ASP A1253
ARG A1306
TRP A1396
 None
 0.73A 5gqbA-5gzuA:
43.2		 5gqbA-5gzuA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 GLY A 437
TYR A 425
ASP A 430
ARG A 426
 None
 0.75A 5gqbA-5hjrA:
2.7		 5gqbA-5hjrA:
20.74
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.
5mz2 RUBISCO SMALL
SUBUNIT

(Thalassiosira
antarctica) 		no annotation 4 PHE I 109
GLY I 108
GLU I 106
ASP I  39
 None
 1.03A 5gqbA-5mz2I:
undetectable		 5gqbA-5mz2I:
9.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4l ADENYLOSUCCINATE
LYASE

(Cryptococcus
neoformans) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 PHE A 225
GLY A 187
ASP A 241
ARG A 330
 None
 0.97A 5gqbA-5v4lA:
undetectable		 5gqbA-5v4lA:
22.22
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.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 7 PHE A 129
GLY A 175
TRP A 176
TYR A 285
ASP A 286
ARG A 342
TRP A 433
 NAG  A 505 (-4.5A)
NAG  A 504 (-3.7A)
NAG  A 503 (-3.3A)
NAG  A 504 (-4.5A)
NAG  A 504 (-3.5A)
NAG  A 503 (-3.7A)
NAG  A 504 (-3.6A)
 0.50A 5gqbA-5wvbA:
42.2		 5gqbA-5wvbA:
9.71
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 7 PHE A 565
GLY A 605
TRP A 606
TYR A 715
ASP A 716
ARG A 772
TRP A 864
 NAG  A1003 ( 4.8A)
NAG  A1003 (-3.5A)
NAG  A1004 (-3.4A)
NAG  A1003 (-4.5A)
NAG  A1003 (-3.1A)
NAG  A1004 (-3.1A)
NAG  A1003 (-3.4A)
 0.45A 5gqbA-5wvgA:
42.9		 5gqbA-5wvgA:
8.68
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 4 PHE A  58
GLY A  99
TRP A 100
TRP A 353
 None
 0.63A 5gqbA-5xepA:
43.6		 5gqbA-5xepA:
10.00
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 4 PHE A  58
GLY A  99
TYR A 207
TRP A 353
 None
 0.69A 5gqbA-5xepA:
43.6		 5gqbA-5xepA:
10.00
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 7 PHE A 104
GLY A 141
TRP A 142
GLU A 182
TYR A 256
ASP A 257
TRP A 425
 None
 0.36A 5gqbA-5xwqA:
37.2		 5gqbA-5xwqA:
9.06
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 7 PHE A1648
GLY A1690
TRP A1691
GLU A1733
TYR A1803
ASP A1804
TRP A1961
 None
 0.41A 5gqbA-5y29A:
43.9		 5gqbA-5y29A:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 7 PHE A2094
GLY A2137
TRP A2138
GLU A2180
TYR A2250
ASP A2251
TRP A2398
 None
 0.55A 5gqbA-5y2aA:
43.1		 5gqbA-5y2aA:
9.58
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 PHE A 239
GLY A 241
TRP A 245
ASP A 602
 None
None
SEB  A 360 ( 4.2A)
None
 0.88A 5gqbA-5ydjA:
undetectable		 5gqbA-5ydjA:
10.13
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 8 PHE A 191
GLY A 274
TRP A 275
GLU A 315
TYR A 392
ASP A 393
ARG A 448
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
None
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-4.0A)
GOL  A 706 ( 3.8A)
 0.30A 5gqbA-5zl9A:
64.5		 5gqbA-5zl9A:
24.00
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 PHE A 239
GLY A 241
TRP A 245
ASP A 602
 None
 0.90A 5gqbA-6arxA:
undetectable		 5gqbA-6arxA:
9.81