SIMILAR PATTERNS OF AMINO ACIDS FOR 3WQW_A_GCSA501_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
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 PHE A  35
GLY A  85
ASP A 129
TYR A 189
TRP A 265
 None
 0.54A 3wqwA-1cnvA:
19.5		 3wqwA-1cnvA:
25.76
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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		8 PHE A  71
GLY A 130
ASP A 169
GLU A 171
MET A 237
TYR A 239
TYR A 293
TRP A 378
 None
 0.81A 3wqwA-1d2kA:
43.9		 3wqwA-1d2kA:
27.42
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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		9 PHE A  71
GLY A 130
GLU A 171
MET A 237
TYR A 239
ASP A 240
TYR A 293
ARG A 295
TRP A 378
 None
 0.55A 3wqwA-1d2kA:
43.9		 3wqwA-1d2kA:
27.42
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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		6 PHE A  71
GLY A 130
TRP A 131
ASP A 169
GLU A 171
TYR A 293
 None
 1.00A 3wqwA-1d2kA:
43.9		 3wqwA-1d2kA:
27.42
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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		7 PHE A  71
GLY A 130
TRP A 131
GLU A 171
ASP A 240
TYR A 293
ARG A 295
 None
 0.79A 3wqwA-1d2kA:
43.9		 3wqwA-1d2kA:
27.42
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.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		11 PHE A  51
GLY A  96
TRP A  97
ASP A 142
GLU A 144
MET A 212
TYR A 214
ASP A 215
TYR A 292
ARG A 294
TRP A 403
 NGO  A 502 (-4.7A)
NGO  A 502 ( 3.8A)
NAG  A 503 ( 3.7A)
NGO  A 502 (-3.1A)
NGO  A 502 (-3.4A)
NGO  A 502 (-3.4A)
NGO  A 502 (-4.5A)
NGO  A 502 ( 3.1A)
NGO  A 502 (-4.8A)
NAG  A 503 ( 4.9A)
NGO  A 502 (-3.5A)
 0.53A 3wqwA-1e6zA:
41.6		 3wqwA-1e6zA:
25.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		8 PHE A  58
GLY A  98
TRP A  99
MET A 204
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 (-3.7A)
NAG  A  -1 (-4.6A)
NAG  A  -1 (-3.7A)
NAG  A  -2 (-4.2A)
NAG  A  -1 (-3.5A)
 0.50A 3wqwA-1hjvA:
52.1		 3wqwA-1hjvA:
37.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		11 PHE A  58
GLY A  98
TRP A  99
ASP A 138
GLU A 140
MET A 210
TYR A 212
ASP A 213
TYR A 267
ARG A 269
TRP A 358
 AMI  A1388 (-4.8A)
AMI  A1388 ( 3.7A)
NAA  A1390 ( 4.3A)
AMI  A1388 (-3.1A)
AMI  A1388 ( 3.3A)
AMI  A1388 (-3.3A)
AMI  A1388 (-4.8A)
AMI  A1388 ( 2.9A)
NAA  A1387 (-3.6A)
NAA  A1389 (-3.2A)
AMI  A1388 (-3.5A)
 0.50A 3wqwA-1hkkA:
55.2		 3wqwA-1hkkA:
39.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		7 PHE A  77
GLY A 163
ASP A 202
TYR A 279
ASP A 280
TYR A 338
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.6A)
GOL  A1007 ( 4.8A)
None
None
GOL  A1007 (-4.8A)
 0.85A 3wqwA-1itxA:
48.9		 3wqwA-1itxA:
32.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		10 PHE A  77
GLY A 163
TRP A 164
GLU A 204
MET A 277
TYR A 279
ASP A 280
TYR A 338
ARG A 340
TRP A 433
 GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
None
GOL  A1007 (-3.7A)
GOL  A1007 ( 3.3A)
GOL  A1007 ( 4.8A)
None
None
None
GOL  A1007 (-4.8A)
 0.62A 3wqwA-1itxA:
48.9		 3wqwA-1itxA:
32.20
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		7 PHE A  55
GLY A 135
ASP A 190
TYR A 271
ASP A 272
TYR A 328
TRP A 412
 None
None
None
GOL  A 530 (-4.8A)
GOL  A 530 (-3.7A)
None
None
 0.80A 3wqwA-1kfwA:
44.8		 3wqwA-1kfwA:
26.74
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		9 PHE A  55
GLY A 135
TRP A 136
GLU A 192
TYR A 271
ASP A 272
TYR A 328
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
None
 0.52A 3wqwA-1kfwA:
44.8		 3wqwA-1kfwA:
26.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		6 PHE A  37
GLY A  77
TYR A 185
ASP A 186
ARG A 242
TRP A 331
 None
 1.15A 3wqwA-1ljyA:
51.7		 3wqwA-1ljyA:
35.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vf8 SECRETORY PROTEIN

(Mus musculus) 		PF00704
(Glyco_hydro_18) 		8 PHE A  37
GLY A  77
TRP A  78
ASP A 117
MET A 189
ASP A 192
TYR A 246
TRP A 339
 None
 0.79A 3wqwA-1vf8A:
54.9		 3wqwA-1vf8A:
37.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vf8 SECRETORY PROTEIN

(Mus musculus) 		PF00704
(Glyco_hydro_18) 		8 PHE A  37
GLY A  77
TRP A  78
ASP A 117
MET A 189
TYR A 191
ASP A 192
TYR A 246
 None
 0.51A 3wqwA-1vf8A:
54.9		 3wqwA-1vf8A:
37.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		11 PHE A  58
GLY A  98
TRP A  99
ASP A 138
GLU A 140
MET A 210
TYR A 212
ASP A 213
TYR A 267
ARG A 269
TRP A 360
 None
 0.49A 3wqwA-1wb0A:
55.1		 3wqwA-1wb0A:
34.97
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.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		9 PHE A  38
GLY A  98
ASP A 137
GLU A 139
MET A 205
TYR A 207
ASP A 208
TYR A 261
TRP A 346
 None
 0.79A 3wqwA-1wnoA:
43.8		 3wqwA-1wnoA:
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.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		10 PHE A  38
GLY A  98
TRP A  99
GLU A 139
MET A 205
TYR A 207
ASP A 208
TYR A 261
ARG A 263
TRP A 346
 None
 0.58A 3wqwA-1wnoA:
43.8		 3wqwA-1wnoA:
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.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		6 PHE A  32
GLY A  80
ASP A 125
GLU A 127
TYR A 182
TRP A 253
 None
 0.54A 3wqwA-2gsjA:
19.7		 3wqwA-2gsjA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 PHE A  60
GLY A 109
ASP A 155
GLU A 157
TYR A 214
TRP A 285
 H33  A1311 (-4.3A)
H33  A1311 ( 3.8A)
H33  A1311 (-3.0A)
H33  A1311 (-3.7A)
H33  A1311 (-4.7A)
H33  A1311 (-3.5A)
 0.58A 3wqwA-2uy3A:
20.1		 3wqwA-2uy3A:
20.45
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		11 PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 388
TYR A 390
ASP A 391
TYR A 444
ARG A 446
TRP A 539
 SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
SN5  A1566 (-3.3A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-3.7A)
NGT  A1565 (-4.7A)
NGT  A1565 (-2.9A)
NGT  A1565 ( 4.9A)
SN5  A1566 ( 3.5A)
NGT  A1565 ( 3.5A)
 0.51A 3wqwA-2wk2A:
42.9		 3wqwA-2wk2A:
23.28
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.
2xvn ASPERGILLUS
FUMIGATUS CHITINASE
A1

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		6 PHE A  60
GLY A 123
ASP A 172
GLU A 174
TYR A 232
TRP A 312
 None
None
KLS  A1338 (-2.8A)
KLS  A1338 (-2.9A)
KLS  A1338 (-4.8A)
KLS  A1338 (-3.5A)
 0.54A 3wqwA-2xvnA:
21.0		 3wqwA-2xvnA:
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.
2y8v CLASS III CHITINASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 GLY A  92
ASP A 130
GLU A 132
TYR A 196
TRP A 262
 None
 0.48A 3wqwA-2y8vA:
19.1		 3wqwA-2y8vA:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		10 PHE A  58
GLY A  98
TRP A  99
ASP A 138
GLU A 140
MET A 210
TYR A 212
ASP A 213
TYR A 267
TRP A 360
 CX9  A1398 (-4.5A)
CX9  A1398 (-3.5A)
CX9  A1399 ( 3.4A)
CX9  A1398 (-3.0A)
CX9  A1398 (-3.7A)
CX9  A1398 (-3.3A)
CX9  A1398 (-4.3A)
CX9  A1398 ( 4.4A)
None
CX9  A1398 ( 3.3A)
 0.43A 3wqwA-2ybuA:
55.8		 3wqwA-2ybuA:
43.25
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.64A 3wqwA-3afbA:
20.4		 3wqwA-3afbA:
24.26
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.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 6 PHE A 448
GLY A 489
GLU A 526
MET A 585
ASP A 588
TRP A 664
 GOL  A   2 (-4.6A)
GOL  A   2 ( 3.7A)
GOL  A   2 (-3.7A)
GOL  A   2 ( 4.4A)
None
GOL  A   2 (-3.8A)
 0.75A 3wqwA-3afbA:
20.4		 3wqwA-3afbA:
24.26
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		7 GLY A  74
GLU A 115
MET A 181
TYR A 183
ASP A 184
TYR A 234
TRP A 326
 None
EDO  A 357 (-2.8A)
EDO  A 357 ( 3.3A)
EDO  A 359 ( 4.7A)
EDO  A 359 (-4.5A)
None
EDO  A 357 (-4.4A)
 1.06A 3wqwA-3alfA:
45.1		 3wqwA-3alfA:
28.26
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		7 PHE A  31
GLY A  73
ASP A 113
TYR A 183
ASP A 184
TYR A 234
TRP A 326
 EDO  A 357 (-4.8A)
EDO  A 357 ( 4.2A)
EDO  A 357 (-4.2A)
EDO  A 359 ( 4.7A)
EDO  A 359 (-4.5A)
None
EDO  A 357 (-4.4A)
 0.81A 3wqwA-3alfA:
45.1		 3wqwA-3alfA:
28.26
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		8 PHE A  31
GLY A  73
GLU A 115
MET A 181
TYR A 183
ASP A 184
TYR A 234
TRP A 326
 EDO  A 357 (-4.8A)
EDO  A 357 ( 4.2A)
EDO  A 357 (-2.8A)
EDO  A 357 ( 3.3A)
EDO  A 359 ( 4.7A)
EDO  A 359 (-4.5A)
None
EDO  A 357 (-4.4A)
 0.38A 3wqwA-3alfA:
45.1		 3wqwA-3alfA:
28.26
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.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		7 GLY A  75
GLU A 116
MET A 182
TYR A 184
ASP A 185
TYR A 235
TRP A 324
 None
 1.09A 3wqwA-3aquA:
44.0		 3wqwA-3aquA:
27.09
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.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		9 PHE A  32
GLY A  74
ASP A 114
GLU A 116
MET A 182
TYR A 184
ASP A 185
TYR A 235
TRP A 324
 None
 0.73A 3wqwA-3aquA:
44.0		 3wqwA-3aquA:
27.09
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		9 PHE A 192
GLY A 274
ASP A 313
MET A 389
TYR A 391
ASP A 392
TYR A 461
ARG A 463
TRP A 570
 None
 0.75A 3wqwA-3b9eA:
39.9		 3wqwA-3b9eA:
25.33
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		9 PHE A 192
GLY A 274
TRP A 275
MET A 389
TYR A 391
ASP A 392
TYR A 461
ARG A 463
TRP A 570
 None
 0.57A 3wqwA-3b9eA:
39.9		 3wqwA-3b9eA:
25.33
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		5 PHE A 131
ASP A 210
GLU A 212
TYR A 275
ASP A 276
 GOL  A 502 ( 4.7A)
GOL  A 502 (-3.4A)
GOL  A 502 (-3.4A)
None
None
 0.98A 3wqwA-3cz8A:
27.0		 3wqwA-3cz8A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		5 PHE A 131
ASP A 210
GLU A 212
TYR A 275
TRP A 398
 GOL  A 502 ( 4.7A)
GOL  A 502 (-3.4A)
GOL  A 502 (-3.4A)
None
None
 1.11A 3wqwA-3cz8A:
27.0		 3wqwA-3cz8A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		6 PHE A  37
GLY A  84
ASP A 119
GLU A 121
TYR A 181
TRP A 271
 None
 0.49A 3wqwA-3ebvA:
23.0		 3wqwA-3ebvA:
25.66
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.
3fnd CHITINASE

(Bacteroides
thetaiotaomicron) 		PF00704
(Glyco_hydro_18) 		8 PHE A  79
ASP A 155
GLU A 157
MET A 211
TYR A 213
ASP A 214
TYR A 256
TRP A 322
 None
None
None
None
None
None
GOL  A 356 (-4.3A)
None
 0.48A 3wqwA-3fndA:
33.5		 3wqwA-3fndA:
27.03
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.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		8 PHE A  74
GLY A 133
ASP A 172
MET A 240
TYR A 242
ASP A 243
TYR A 296
TRP A 381
 None
 0.88A 3wqwA-3g6lA:
43.9		 3wqwA-3g6lA:
27.29
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.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		10 PHE A  74
GLY A 133
TRP A 134
GLU A 174
MET A 240
TYR A 242
ASP A 243
TYR A 296
ARG A 298
TRP A 381
 None
 0.70A 3wqwA-3g6lA:
43.9		 3wqwA-3g6lA:
27.29
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.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		5 PHE A  84
GLY A 126
ASP A 160
TYR A 229
TRP A 321
 None
EDO  A 369 ( 3.7A)
EDO  A 361 ( 2.7A)
EDO  A 361 (-4.5A)
EDO  A 361 (-4.5A)
 0.56A 3wqwA-3ianA:
21.2		 3wqwA-3ianA:
25.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		8 PHE A  58
GLY A 113
ASP A 151
MET A 220
TYR A 222
ASP A 223
TYR A 276
TRP A 395
 None
 0.83A 3wqwA-3qokA:
41.1		 3wqwA-3qokA:
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		10 PHE A  58
GLY A 113
TRP A 114
GLU A 153
MET A 220
TYR A 222
ASP A 223
TYR A 276
ARG A 278
TRP A 395
 None
 0.48A 3wqwA-3qokA:
41.1		 3wqwA-3qokA:
29.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		5 PHE A  61
ASP A 146
TYR A 217
TYR A 272
TRP A 372
 None
 0.82A 3wqwA-3w4rA:
70.2		 3wqwA-3w4rA:
72.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		10 PHE A  61
GLY A 106
TRP A 107
GLU A 148
MET A 215
TYR A 217
ASP A 218
TYR A 272
ARG A 274
TRP A 372
 None
 0.23A 3wqwA-3w4rA:
70.2		 3wqwA-3w4rA:
72.76
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 GLY A 639
ASP A 349
TYR A 393
ARG A 351
TRP A 347
 None
None
RAM  A1206 (-3.8A)
RAM  A1206 (-3.0A)
None
 1.39A 3wqwA-3w5nA:
undetectable		 3wqwA-3w5nA:
17.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wl1 CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		11 PHE A  61
GLY A 106
TRP A 107
ASP A 146
GLU A 148
MET A 215
TYR A 217
ASP A 218
TYR A 272
ARG A 274
TRP A 372
 NAG  A 501 (-4.5A)
NAG  A 501 (-3.6A)
NAG  A 505 ( 3.4A)
NAG  A 501 (-3.0A)
NAG  A 501 (-2.7A)
NAG  A 501 (-3.5A)
NAG  A 501 (-4.6A)
NAG  A 501 ( 3.2A)
NAG  A 502 (-3.9A)
NAG  A 505 ( 3.6A)
NAG  A 501 (-3.7A)
 0.23A 3wqwA-3wl1A:
70.5		 3wqwA-3wl1A:
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		7 PHE A 117
GLY A 214
MET A 323
TYR A 325
ASP A 326
TYR A 379
ARG A 381
 None
 0.95A 3wqwA-4a5qA:
33.8		 3wqwA-4a5qA:
25.33
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		9 PHE A 117
GLY A 214
TRP A 215
GLU A 256
MET A 323
ASP A 326
TYR A 379
ARG A 381
TRP A 486
 None
 0.90A 3wqwA-4a5qA:
33.8		 3wqwA-4a5qA:
25.33
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.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		5 GLY X  88
ASP X 129
GLU X 131
TYR X 195
TRP X 259
 ZN  X1291 ( 4.5A)
ACT  X1288 (-2.9A)
ZN  X1291 (-2.5A)
ACT  X1288 (-4.7A)
ACT  X1288 (-4.0A)
 0.57A 3wqwA-4ac1X:
21.6		 3wqwA-4ac1X:
20.41
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.
4axn CHITINASE C1

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		5 PHE A  66
GLY A 105
ASP A 139
TYR A 208
TRP A 300
 None
None
ACT  A1331 (-2.7A)
ACT  A1331 (-4.6A)
ACT  A1330 ( 4.1A)
 0.60A 3wqwA-4axnA:
20.6		 3wqwA-4axnA:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 PHE A  63
GLY A 103
ASP A 213
TYR A 269
TRP A 360
 None
NAG  A 401 (-3.5A)
NAG  A 401 (-2.8A)
NAG  A 400 (-3.7A)
NAG  A 401 (-3.7A)
 0.39A 3wqwA-4ay1A:
51.5		 3wqwA-4ay1A:
35.75
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		6 PHE A 200
GLY A 307
ASP A 347
ASP A 425
TYR A 482
TRP A 582
 None
None
None
None
None
GOL  A 701 (-4.2A)
 1.15A 3wqwA-4dwsA:
34.1		 3wqwA-4dwsA:
24.73
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		7 PHE A 200
GLY A 307
ASP A 347
MET A 422
TYR A 424
ASP A 425
TYR A 482
 None
 0.86A 3wqwA-4dwsA:
34.1		 3wqwA-4dwsA:
24.73
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		8 PHE A 200
GLY A 307
TRP A 308
GLU A 349
ASP A 425
TYR A 482
ARG A 484
TRP A 582
 None
None
None
None
None
None
None
GOL  A 701 (-4.2A)
 0.84A 3wqwA-4dwsA:
34.1		 3wqwA-4dwsA:
24.73
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		9 PHE A 200
GLY A 307
TRP A 308
GLU A 349
MET A 422
TYR A 424
ASP A 425
TYR A 482
ARG A 484
 None
 0.59A 3wqwA-4dwsA:
34.1		 3wqwA-4dwsA:
24.73
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 GLY A 333
ASP A 334
TYR A 318
ASP A 345
TYR A 321
 None
 1.31A 3wqwA-4gl3A:
undetectable		 3wqwA-4gl3A:
25.65
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		5 PHE A  70
GLY A 117
ASP A 151
TYR A 220
TRP A 311
 NAG  A 608 (-4.4A)
NAG  A 608 ( 3.9A)
NAG  A 608 (-3.4A)
NAG  A 609 (-4.4A)
NAG  A 608 (-3.5A)
 0.39A 3wqwA-4mb5A:
21.5		 3wqwA-4mb5A:
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.
4mnm CHITINASE A

(Cycas revoluta) 		PF00704
(Glyco_hydro_18) 		8 PHE A  34
GLY A  76
ASP A 117
MET A 189
TYR A 191
ASP A 192
ARG A 242
TRP A 327
 None
 0.48A 3wqwA-4mnmA:
43.9		 3wqwA-4mnmA:
29.88
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.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		7 PHE A  58
GLY A 113
ASP A 151
GLU A 153
TYR A 325
ARG A 278
TRP A 395
 None
ACT  A 502 ( 4.6A)
ACT  A 502 (-3.0A)
ACT  A 502 (-3.8A)
None
GOL  A 504 (-4.1A)
GOL  A 504 (-3.7A)
 1.48A 3wqwA-4q22A:
41.2		 3wqwA-4q22A:
29.23
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.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		11 PHE A  58
GLY A 113
TRP A 114
ASP A 151
GLU A 153
MET A 220
TYR A 222
ASP A 223
TYR A 276
ARG A 278
TRP A 395
 None
ACT  A 502 ( 4.6A)
None
ACT  A 502 (-3.0A)
ACT  A 502 (-3.8A)
ACT  A 502 ( 3.1A)
GOL  A 504 ( 4.6A)
GOL  A 504 (-2.7A)
GOL  A 504 ( 4.7A)
GOL  A 504 (-4.1A)
GOL  A 504 (-3.7A)
 0.41A 3wqwA-4q22A:
41.2		 3wqwA-4q22A:
29.23
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		5 ASP A 147
GLU A 149
MET A 211
TYR A 213
ARG A 272
 None
 1.18A 3wqwA-4q6tA:
33.4		 3wqwA-4q6tA:
23.15
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		7 ASP A 147
GLU A 149
MET A 211
TYR A 213
ASP A 214
TYR A 263
TRP A 349
 None
 0.44A 3wqwA-4q6tA:
33.4		 3wqwA-4q6tA:
23.15
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.
4s3j CORTICAL-LYTIC
ENZYME

(Bacillus cereus) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		7 PHE A 138
ASP A 217
GLU A 219
MET A 281
TYR A 283
TYR A 324
TRP A 407
 None
 0.99A 3wqwA-4s3jA:
32.1		 3wqwA-4s3jA:
23.12
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.
4s3j CORTICAL-LYTIC
ENZYME

(Bacillus cereus) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		7 PHE A 138
ASP A 217
MET A 281
TYR A 283
ASP A 284
TYR A 324
TRP A 407
 None
 0.91A 3wqwA-4s3jA:
32.1		 3wqwA-4s3jA:
23.12
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.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		5 PHE A  32
GLY A  80
ASP A 125
GLU A 127
TYR A 183
 None
 0.43A 3wqwA-4toqA:
19.4		 3wqwA-4toqA:
22.17
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		11 PHE A 190
GLY A 254
TRP A 255
ASP A 312
GLU A 314
MET A 395
TYR A 397
ASP A 398
TYR A 464
ARG A 466
TRP A 603
 None
None
None
None
CS  A 803 (-2.9A)
CS  A 803 (-3.5A)
CS  A 812 (-4.4A)
CS  A 812 (-4.0A)
CS  A 812 (-4.5A)
None
CS  A 812 ( 4.2A)
 0.48A 3wqwA-4txgA:
34.7		 3wqwA-4txgA:
22.28
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		7 GLY A  73
GLU A 116
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 MPD  A 401 (-3.9A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.96A 3wqwA-4uriA:
42.6		 3wqwA-4uriA:
27.90
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		5 PHE A  30
GLY A  72
ASP A 114
TYR A 185
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.96A 3wqwA-4uriA:
42.6		 3wqwA-4uriA:
27.90
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		8 PHE A  30
GLY A  72
GLU A 116
MET A 183
TYR A 185
ASP A 186
TYR A 236
TRP A 317
 None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-3.0A)
MPD  A 401 (-4.8A)
None
None
MPD  A 401 (-3.8A)
 0.47A 3wqwA-4uriA:
42.6		 3wqwA-4uriA:
27.90
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 10 PHE B  78
GLY B 141
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
ARG B 307
TRP B 388
 None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
None
 0.71A 3wqwA-4w5uB:
43.8		 3wqwA-4w5uB:
29.18
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 10 PHE B  78
GLY B 141
TRP B 142
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
TRP B 388
 None
None
MLI  B 501 ( 3.8A)
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
 0.69A 3wqwA-4w5uB:
43.8		 3wqwA-4w5uB:
29.18
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.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		5 PHE A  70
GLY A 117
ASP A 151
TYR A 220
TRP A 311
 None
None
ACT  A 404 (-2.7A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 3.4A)
 0.64A 3wqwA-4w5zA:
21.5		 3wqwA-4w5zA:
22.85
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.
4wiw GLYCOSIDE HYDROLASE
FAMILY 18

(Desulfitobacterium
hafniense) 		PF00704
(Glyco_hydro_18) 		7 ASP A 458
GLU A 460
MET A 530
TYR A 532
ASP A 533
TYR A 574
TRP A 666
 CA  A 704 ( 4.4A)
CA  A 704 (-2.8A)
CA  A 704 ( 4.4A)
None
None
None
None
 0.42A 3wqwA-4wiwA:
32.5		 3wqwA-4wiwA:
25.43
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 181
GLY A 264
ASP A 303
TYR A 381
TRP A 528
 58Y  A 605 (-4.5A)
58Y  A 605 ( 4.2A)
None
58Y  A 605 (-4.9A)
58Y  A 605 (-3.7A)
 0.99A 3wqwA-5df0A:
42.2		 3wqwA-5df0A:
25.54
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		10 PHE A 181
GLY A 264
TRP A 265
GLU A 305
MET A 379
TYR A 381
ASP A 382
TYR A 435
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 (-3.3A)
58Y  A 605 (-4.9A)
58Y  A 605 ( 3.0A)
None
58Y  A 605 ( 3.3A)
58Y  A 605 (-3.7A)
 0.56A 3wqwA-5df0A:
42.2		 3wqwA-5df0A:
25.54
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.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		7 PHE A 184
GLY A 267
ASP A 306
TYR A 383
ASP A 384
TYR A 437
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
ASP  A 306 ( 0.5A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.82A 3wqwA-5gprA:
43.0		 3wqwA-5gprA:
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.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		10 PHE A 184
GLY A 267
TRP A 268
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
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)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
ARG  A 439 ( 0.6A)
TRP  A 532 ( 0.5A)
 0.47A 3wqwA-5gprA:
43.0		 3wqwA-5gprA:
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		8 PHE B 590
GLY B 651
ASP B 689
MET B 764
TYR B 766
ASP B 767
TYR B 816
TRP B 905
 None
 0.77A 3wqwA-5gztB:
43.7		 3wqwA-5gztB:
16.58
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		10 PHE B 590
GLY B 651
TRP B 652
GLU B 691
MET B 764
TYR B 766
ASP B 767
TYR B 816
ARG B 818
TRP B 905
 None
 0.57A 3wqwA-5gztB:
43.7		 3wqwA-5gztB:
16.58
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		7 PHE B1077
GLY B1137
ASP B1175
TYR B1252
ASP B1253
TYR B1304
TRP B1396
 None
 0.87A 3wqwA-5gztB:
43.7		 3wqwA-5gztB:
16.58
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		9 PHE B1077
GLY B1137
GLU B1177
MET B1250
TYR B1252
ASP B1253
TYR B1304
ARG B1306
TRP B1396
 None
 0.78A 3wqwA-5gztB:
43.7		 3wqwA-5gztB:
16.58
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		9 PHE B1077
GLY B1137
TRP B1138
GLU B1177
MET B1250
TYR B1252
ASP B1253
TYR B1304
TRP B1396
 None
 0.79A 3wqwA-5gztB:
43.7		 3wqwA-5gztB:
16.58
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		8 PHE A 590
GLY A 651
ASP A 689
MET A 764
TYR A 766
ASP A 767
TYR A 816
TRP A 905
 None
 0.77A 3wqwA-5gzuA:
44.0		 3wqwA-5gzuA:
19.13
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		10 PHE A 590
GLY A 651
TRP A 652
GLU A 691
MET A 764
TYR A 766
ASP A 767
TYR A 816
ARG A 818
TRP A 905
 None
 0.58A 3wqwA-5gzuA:
44.0		 3wqwA-5gzuA:
19.13
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		7 PHE A1077
GLY A1137
ASP A1175
TYR A1252
ASP A1253
TYR A1304
TRP A1396
 None
 0.85A 3wqwA-5gzuA:
44.0		 3wqwA-5gzuA:
19.13
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		9 PHE A1077
GLY A1137
GLU A1177
MET A1250
TYR A1252
ASP A1253
TYR A1304
ARG A1306
TRP A1396
 None
 0.79A 3wqwA-5gzuA:
44.0		 3wqwA-5gzuA:
19.13
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		9 PHE A1077
GLY A1137
TRP A1138
GLU A1177
MET A1250
TYR A1252
ASP A1253
TYR A1304
TRP A1396
 None
 0.73A 3wqwA-5gzuA:
44.0		 3wqwA-5gzuA:
19.13
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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		6 ASP A 109
GLU A 111
MET A 174
TYR A 176
ASP A 177
TYR A 217
 HIS  A 505 (-2.3A)
HIS  A 505 (-2.8A)
HIS  A 505 (-3.8A)
6KY  A 504 (-4.0A)
6KY  A 504 (-2.6A)
6KY  A 504 (-3.1A)
 0.40A 3wqwA-5jh8A:
33.4		 3wqwA-5jh8A:
24.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 GLY A 463
GLU A 459
ASP A 452
TYR A 401
ARG A 448
 None
 1.02A 3wqwA-5jo7A:
undetectable		 3wqwA-5jo7A:
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.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 6 PHE A 129
GLY A 175
ASP A 215
TYR A 285
TYR A 340
TRP A 433
 NAG  A 505 (-4.5A)
NAG  A 504 (-3.7A)
NAG  A 504 (-3.8A)
NAG  A 504 (-4.5A)
NAG  A 505 (-4.1A)
NAG  A 504 (-3.6A)
 0.86A 3wqwA-5wvbA:
54.5		 3wqwA-5wvbA:
10.03
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.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 9 PHE A 129
GLY A 175
TRP A 176
MET A 283
TYR A 285
ASP A 286
TYR A 340
ARG A 342
TRP A 433
 NAG  A 505 (-4.5A)
NAG  A 504 (-3.7A)
NAG  A 503 (-3.3A)
NAG  A 503 (-4.0A)
NAG  A 504 (-4.5A)
NAG  A 504 (-3.5A)
NAG  A 505 (-4.1A)
NAG  A 503 (-3.7A)
NAG  A 504 (-3.6A)
 0.46A 3wqwA-5wvbA:
54.5		 3wqwA-5wvbA:
10.03
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 PHE A 565
ASP A 645
TYR A 715
TYR A 770
TRP A 864
 NAG  A1003 ( 4.8A)
NAG  A1003 (-3.9A)
NAG  A1003 (-4.5A)
NAG  A1002 (-4.2A)
NAG  A1003 (-3.4A)
 0.98A 3wqwA-5wvgA:
54.3		 3wqwA-5wvgA:
14.73
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 9 PHE A 565
GLY A 605
TRP A 606
MET A 713
TYR A 715
ASP A 716
TYR A 770
ARG A 772
TRP A 864
 NAG  A1003 ( 4.8A)
NAG  A1003 (-3.5A)
NAG  A1004 (-3.4A)
NAG  A1003 (-3.6A)
NAG  A1003 (-4.5A)
NAG  A1003 (-3.1A)
NAG  A1002 (-4.2A)
NAG  A1004 (-3.1A)
NAG  A1003 (-3.4A)
 0.34A 3wqwA-5wvgA:
54.3		 3wqwA-5wvgA:
14.73
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 6 PHE A  58
GLY A  99
MET A 205
TYR A 207
ASP A 208
TRP A 353
 None
 0.71A 3wqwA-5xepA:
52.4		 3wqwA-5xepA:
10.70
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 6 PHE A  58
GLY A  99
TRP A 100
MET A 205
ASP A 208
TRP A 353
 None
 0.84A 3wqwA-5xepA:
52.4		 3wqwA-5xepA:
10.70
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 5 GLU A 182
MET A 254
TYR A 256
ASP A 257
ARG A 312
 None
 1.00A 3wqwA-5xwqA:
40.4		 3wqwA-5xwqA:
11.83
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 10 PHE A 104
GLY A 141
TRP A 142
ASP A 180
GLU A 182
MET A 254
TYR A 256
ASP A 257
TYR A 310
TRP A 425
 None
 0.47A 3wqwA-5xwqA:
40.4		 3wqwA-5xwqA:
11.83
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 10 PHE A1648
GLY A1690
TRP A1691
ASP A1731
GLU A1733
MET A1801
TYR A1803
ASP A1804
TYR A1856
TRP A1961
 None
 0.33A 3wqwA-5y29A:
55.2		 3wqwA-5y29A:
12.85
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 10 PHE A2094
GLY A2137
TRP A2138
ASP A2178
GLU A2180
MET A2248
TYR A2250
ASP A2251
TYR A2303
TRP A2398
 None
 0.56A 3wqwA-5y2aA:
55.4		 3wqwA-5y2aA:
14.88
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 11 PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 390
TYR A 392
ASP A 393
TYR A 446
ARG A 448
TRP A 541
 GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
None
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 703 (-3.0A)
GOL  A 703 (-3.5A)
GOL  A 703 (-4.0A)
GOL  A 706 ( 3.8A)
 0.55A 3wqwA-5zl9A:
42.7		 3wqwA-5zl9A:
14.08