SIMILAR PATTERNS OF AMINO ACIDS FOR 2XTK_A_AZMA1339_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) 		8 TYR A  10
PHE A  35
GLY A  85
ASP A 129
TYR A 189
ASN A 190
ALA A 233
TRP A 265
 None
 0.66A 2xtkA-1cnvA:
33.1		 2xtkA-1cnvA:
29.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		7 TYR A  43
PHE A  71
GLY A 130
ASP A 169
GLU A 171
TYR A 239
TRP A 378
 None
 1.06A 2xtkA-1d2kA:
21.0		 2xtkA-1d2kA:
23.34
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.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		7 TYR A  10
PHE A  51
GLY A  96
ASP A 142
GLU A 144
TYR A 214
TRP A 403
 NGO  A 502 (-3.2A)
NGO  A 502 (-4.7A)
NGO  A 502 ( 3.8A)
NGO  A 502 (-3.1A)
NGO  A 502 (-3.4A)
NGO  A 502 (-4.5A)
NGO  A 502 (-3.5A)
 0.87A 2xtkA-1e6zA:
19.7		 2xtkA-1e6zA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 TYR A  27
PHE A  58
GLY A  98
TYR A 206
TRP A 352
 NAG  A  -1 (-3.8A)
NAG  A  -2 (-4.7A)
NAG  A  -2 ( 4.2A)
NAG  A  -1 (-4.6A)
NAG  A  -1 (-3.5A)
 0.61A 2xtkA-1hjvA:
20.3		 2xtkA-1hjvA:
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		7 TYR A  27
PHE A  58
GLY A  98
ASP A 138
GLU A 140
TYR A 212
TRP A 358
 AMI  A1388 (-3.6A)
AMI  A1388 (-4.8A)
AMI  A1388 ( 3.7A)
AMI  A1388 (-3.1A)
AMI  A1388 ( 3.3A)
AMI  A1388 (-4.8A)
AMI  A1388 (-3.5A)
 0.82A 2xtkA-1hkkA:
20.4		 2xtkA-1hkkA:
24.82
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		6 TYR A  49
PHE A  77
GLY A 163
GLU A 204
TYR A 279
TRP A 433
 GOL  A1007 (-4.1A)
GOL  A1007 (-4.8A)
GOL  A1007 ( 3.9A)
GOL  A1007 (-3.7A)
GOL  A1007 ( 4.8A)
GOL  A1007 (-4.8A)
 0.77A 2xtkA-1itxA:
20.1		 2xtkA-1itxA:
22.00
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		6 TYR A  23
PHE A  55
GLY A 135
ASP A 190
TYR A 271
TRP A 412
 None
None
None
None
GOL  A 530 (-4.8A)
None
 1.04A 2xtkA-1kfwA:
20.9		 2xtkA-1kfwA:
24.17
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		6 TYR A  23
PHE A  55
GLY A 135
GLU A 192
TYR A 271
TRP A 412
 None
None
None
GOL  A 530 (-3.9A)
GOL  A 530 (-4.8A)
None
 0.80A 2xtkA-1kfwA:
20.9		 2xtkA-1kfwA:
24.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		5 TYR A   6
PHE A  32
GLY A  80
ALA A 224
TRP A 255
 NAG  A 904 ( 4.2A)
NAG  A 904 (-4.3A)
NAG  A 904 (-3.7A)
None
NAG  A 904 ( 3.6A)
 0.91A 2xtkA-1kr1A:
36.0		 2xtkA-1kr1A:
31.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		8 TYR A   6
PHE A  32
GLY A  80
GLN A 181
TYR A 183
ASN A 184
ALA A 225
TRP A 255
 NAG  A 904 ( 4.2A)
NAG  A 904 (-4.3A)
NAG  A 904 (-3.7A)
NAG  A 904 (-3.2A)
NAG  A 904 (-4.6A)
NAG  A 904 (-3.7A)
NAG  A 904 (-3.7A)
NAG  A 904 ( 3.6A)
 0.54A 2xtkA-1kr1A:
36.0		 2xtkA-1kr1A:
31.72
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 TYR A   6
PHE A  37
GLY A  77
TYR A 185
TRP A 331
 None
 0.74A 2xtkA-1ljyA:
20.5		 2xtkA-1ljyA:
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		7 TYR A  27
PHE A  58
GLY A  98
ASP A 138
GLU A 140
TYR A 212
TRP A 360
 None
 0.69A 2xtkA-1wb0A:
20.6		 2xtkA-1wb0A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		7 TYR A  10
PHE A  38
GLY A  98
ASP A 137
GLU A 139
TYR A 207
TRP A 346
 None
 0.92A 2xtkA-1wnoA:
21.1		 2xtkA-1wnoA:
24.29
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.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		5 GLY A  48
ALA A  49
ASP A  47
GLN A 191
ASN A 170
 None
None
NAD  A1350 (-4.0A)
NAD  A1350 (-3.7A)
NAD  A1350 (-3.3A)
 0.80A 2xtkA-1z9aA:
9.1		 2xtkA-1z9aA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		6 GLY A  81
GLU A 127
TYR A 182
ASN A 183
ALA A 223
TRP A 253
 None
 1.16A 2xtkA-2gsjA:
36.0		 2xtkA-2gsjA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		6 PHE A  32
GLY A  80
GLU A 127
GLN A 157
ASN A 183
ALA A 223
 None
 1.23A 2xtkA-2gsjA:
36.0		 2xtkA-2gsjA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		7 TYR A   6
PHE A  32
ASP A 125
GLN A 180
TYR A 182
ALA A 223
TRP A 253
 None
 0.97A 2xtkA-2gsjA:
36.0		 2xtkA-2gsjA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		9 TYR A   6
PHE A  32
GLY A  80
ASP A 125
GLU A 127
TYR A 182
ASN A 183
ALA A 223
TRP A 253
 None
 0.60A 2xtkA-2gsjA:
36.0		 2xtkA-2gsjA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		7 TYR A   6
PHE A  32
GLY A  80
ASP A 125
TYR A 182
ALA A 222
TRP A 253
 None
 1.10A 2xtkA-2gsjA:
36.0		 2xtkA-2gsjA:
34.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		6 GLY A 109
ALA A 110
GLU A 157
GLN A 189
ASN A 215
ALA A 255
 H33  A1311 ( 3.8A)
H33  A1311 (-3.5A)
H33  A1311 (-3.7A)
None
None
H33  A1311 ( 4.6A)
 1.38A 2xtkA-2uy3A:
40.6		 2xtkA-2uy3A:
42.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		7 TYR A  32
PHE A  60
GLY A 109
ALA A 110
ASP A 155
ALA A 254
TRP A 285
 H33  A1311 ( 4.2A)
H33  A1311 (-4.3A)
H33  A1311 ( 3.8A)
H33  A1311 (-3.5A)
H33  A1311 (-3.0A)
None
H33  A1311 (-3.5A)
 1.14A 2xtkA-2uy3A:
40.6		 2xtkA-2uy3A:
42.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		11 TYR A  32
PHE A  60
GLY A 109
ALA A 110
ASP A 155
GLU A 157
GLN A 212
TYR A 214
ASN A 215
ALA A 255
TRP A 285
 H33  A1311 ( 4.2A)
H33  A1311 (-4.3A)
H33  A1311 ( 3.8A)
H33  A1311 (-3.5A)
H33  A1311 (-3.0A)
H33  A1311 (-3.7A)
H33  A1311 (-3.3A)
H33  A1311 (-4.7A)
None
H33  A1311 ( 4.6A)
H33  A1311 (-3.5A)
 0.43A 2xtkA-2uy3A:
40.6		 2xtkA-2uy3A:
42.28
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		7 TYR A 163
PHE A 191
GLY A 274
ASP A 313
GLU A 315
TYR A 390
TRP A 539
 NGT  A1565 (-3.6A)
SN5  A1564 (-4.6A)
NGT  A1565 ( 3.9A)
NGT  A1565 (-3.4A)
SN5  A1566 ( 2.9A)
NGT  A1565 (-4.7A)
NGT  A1565 ( 3.5A)
 0.72A 2xtkA-2wk2A:
19.7		 2xtkA-2wk2A:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xvn ASPERGILLUS
FUMIGATUS CHITINASE
A1

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		11 TYR A  34
PHE A  60
GLY A 123
ALA A 124
ASP A 172
GLU A 174
GLN A 230
TYR A 232
ASN A 233
ALA A 280
TRP A 312
 KLS  A1338 (-3.4A)
None
None
KLS  A1338 (-3.3A)
KLS  A1338 (-2.8A)
KLS  A1338 (-2.9A)
KLS  A1338 (-3.2A)
KLS  A1338 (-4.8A)
None
None
KLS  A1338 (-3.5A)
 0.46A 2xtkA-2xvnA:
54.0		 2xtkA-2xvnA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xvn ASPERGILLUS
FUMIGATUS CHITINASE
A1

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		8 TYR A  34
PHE A  60
GLY A 123
ALA A 124
ASP A 172
TYR A 232
ALA A 279
TRP A 312
 KLS  A1338 (-3.4A)
None
None
KLS  A1338 (-3.3A)
KLS  A1338 (-2.8A)
KLS  A1338 (-4.8A)
None
KLS  A1338 (-3.5A)
 1.12A 2xtkA-2xvnA:
54.0		 2xtkA-2xvnA:
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.
2y8v CLASS III CHITINASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		9 TYR A  16
GLY A  92
ALA A  93
ASP A 130
GLU A 132
GLN A 194
TYR A 196
ASN A 197
TRP A 262
 None
 0.67A 2xtkA-2y8vA:
21.8		 2xtkA-2y8vA:
20.18
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		7 TYR A  27
PHE A  58
GLY A  98
ASP A 138
GLU A 140
TYR A 212
TRP A 360
 None
CX9  A1398 (-4.5A)
CX9  A1398 (-3.5A)
CX9  A1398 (-3.0A)
CX9  A1398 (-3.7A)
CX9  A1398 (-4.3A)
CX9  A1398 ( 3.3A)
 0.79A 2xtkA-2ybuA:
20.9		 2xtkA-2ybuA:
22.66
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.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 6 TYR A 421
PHE A 448
GLY A 489
ALA A 490
GLU A 526
TRP A 664
 None
GOL  A   2 (-4.6A)
GOL  A   2 ( 3.7A)
GOL  A   2 (-3.5A)
GOL  A   2 (-3.7A)
GOL  A   2 (-3.8A)
 0.69A 2xtkA-3afbA:
19.6		 2xtkA-3afbA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 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 TYR A   7
PHE A  31
GLY A  73
ASP A 113
TYR A 183
TRP A 326
 EDO  A 357 ( 4.5A)
EDO  A 357 (-4.8A)
EDO  A 357 ( 4.2A)
EDO  A 357 (-4.2A)
EDO  A 359 ( 4.7A)
EDO  A 357 (-4.4A)
 1.00A 2xtkA-3alfA:
19.8		 2xtkA-3alfA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		6 TYR A   7
PHE A  31
GLY A  73
GLU A 115
TYR A 183
TRP A 326
 EDO  A 357 ( 4.5A)
EDO  A 357 (-4.8A)
EDO  A 357 ( 4.2A)
EDO  A 357 (-2.8A)
EDO  A 359 ( 4.7A)
EDO  A 357 (-4.4A)
 0.71A 2xtkA-3alfA:
19.8		 2xtkA-3alfA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		7 TYR A   8
PHE A  32
GLY A  74
ASP A 114
GLU A 116
TYR A 184
TRP A 324
 None
 0.95A 2xtkA-3aquA:
19.5		 2xtkA-3aquA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 TYR A 164
PHE A 192
GLY A 274
ASP A 313
TYR A 391
 None
 1.01A 2xtkA-3b9eA:
19.5		 2xtkA-3b9eA:
20.95
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 TYR A 164
PHE A 192
GLY A 274
TYR A 391
TRP A 570
 None
 0.57A 2xtkA-3b9eA:
19.5		 2xtkA-3b9eA:
20.95
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.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		6 TYR A  10
PHE A  37
GLY A  84
ASP A 119
ALA A 229
TRP A 271
 None
 1.08A 2xtkA-3ebvA:
25.7		 2xtkA-3ebvA:
27.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		10 TYR A  10
PHE A  37
GLY A  84
ASP A 119
GLU A 121
GLN A 179
TYR A 181
ASN A 182
ALA A 230
TRP A 271
 None
 0.63A 2xtkA-3ebvA:
25.7		 2xtkA-3ebvA:
27.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fnd CHITINASE

(Bacteroides
thetaiotaomicron) 		PF00704
(Glyco_hydro_18) 		6 TYR A  52
PHE A  79
ASP A 155
GLU A 157
TYR A 213
TRP A 322
 None
 0.79A 2xtkA-3fndA:
19.5		 2xtkA-3fndA:
21.68
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.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		6 TYR A  46
PHE A  74
GLY A 133
GLU A 174
TYR A 242
TRP A 381
 None
 0.82A 2xtkA-3g6lA:
21.4		 2xtkA-3g6lA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		10 TYR A  48
PHE A  84
GLY A 126
ALA A 127
ASP A 160
GLN A 227
TYR A 229
ASN A 230
ALA A 290
TRP A 321
 EDO  A 361 ( 4.2A)
None
EDO  A 369 ( 3.7A)
EDO  A 369 (-4.5A)
EDO  A 361 ( 2.7A)
EDO  A 369 ( 3.3A)
EDO  A 361 (-4.5A)
None
None
EDO  A 361 (-4.5A)
 0.67A 2xtkA-3ianA:
23.6		 2xtkA-3ianA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		6 TYR A  48
PHE A  84
GLY A 126
ASP A 160
ALA A 289
TRP A 321
 EDO  A 361 ( 4.2A)
None
EDO  A 369 ( 3.7A)
EDO  A 361 ( 2.7A)
None
EDO  A 361 (-4.5A)
 1.09A 2xtkA-3ianA:
23.6		 2xtkA-3ianA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		5 TYR A  39
ASP A 143
GLU A 145
GLN A 225
TYR A 227
 None
 1.05A 2xtkA-3n11A:
24.6		 2xtkA-3n11A:
24.60
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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		8 TYR A  39
PHE A  66
ASP A 143
GLN A 225
TYR A 227
ASN A 228
ALA A 288
TRP A 333
 None
 0.50A 2xtkA-3n11A:
24.6		 2xtkA-3n11A:
24.60
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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		6 TYR A  39
PHE A  66
ASP A 143
TYR A 227
ALA A 287
TRP A 333
 None
 1.27A 2xtkA-3n11A:
24.6		 2xtkA-3n11A:
24.60
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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		6 TYR A  39
PHE A  66
GLY A 107
ASP A 143
GLN A 225
TYR A 227
 None
 1.03A 2xtkA-3n11A:
24.6		 2xtkA-3n11A:
24.60
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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		8 TYR A  39
PHE A  66
GLY A 108
GLN A 225
TYR A 227
ASN A 228
ALA A 288
TRP A 333
 None
 0.65A 2xtkA-3n11A:
24.6		 2xtkA-3n11A:
24.60
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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		6 TYR A  39
PHE A  66
GLY A 108
TYR A 227
ALA A 287
TRP A 333
 None
 1.30A 2xtkA-3n11A:
24.6		 2xtkA-3n11A:
24.60
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.
3prh TRYPTOPHANYL-TRNA
SYNTHETASE

(Bacillus
subtilis) 		PF00579
(tRNA-synt_1b) 		5 TYR A  37
GLY A 304
ALA A 305
ASN A 313
ALA A  86
 None
 0.90A 2xtkA-3prhA:
undetectable		 2xtkA-3prhA:
22.95
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		6 TYR A  28
PHE A  58
GLY A 113
ASP A 151
TYR A 222
TRP A 395
 None
 0.99A 2xtkA-3qokA:
19.5		 2xtkA-3qokA:
21.23
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		6 TYR A  28
PHE A  58
GLY A 113
GLU A 153
TYR A 222
TRP A 395
 None
 0.64A 2xtkA-3qokA:
19.5		 2xtkA-3qokA:
21.23
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.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		6 PHE A  35
GLY A  84
ALA A  85
ASP A 125
GLU A 127
ALA A 189
 None
 1.30A 2xtkA-3simA:
22.0		 2xtkA-3simA:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		6 PHE A  35
GLY A  84
ALA A  85
ASP A 125
GLU A 127
GLN A 186
 None
 0.59A 2xtkA-3simA:
22.0		 2xtkA-3simA:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		6 TYR A   6
PHE A  35
GLY A  84
ALA A  85
GLU A 127
ALA A 189
 None
 1.45A 2xtkA-3simA:
22.0		 2xtkA-3simA:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		6 TYR A   6
PHE A  35
GLY A  84
ALA A  85
GLU A 127
GLN A 186
 None
 0.81A 2xtkA-3simA:
22.0		 2xtkA-3simA:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		6 TYR A  30
PHE A  61
GLY A 106
ASP A 146
TYR A 217
TRP A 372
 None
 1.04A 2xtkA-3w4rA:
21.0		 2xtkA-3w4rA:
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.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		6 TYR A  30
PHE A  61
GLY A 106
GLU A 148
TYR A 217
TRP A 372
 None
 0.77A 2xtkA-3w4rA:
21.0		 2xtkA-3w4rA:
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.
3wg6 CONJUGATED
POLYKETONE REDUCTASE
C1

(Candida
parapsilosis) 		PF00248
(Aldo_ket_red) 		5 GLY A  56
ALA A  57
ASP A  55
GLN A 183
ASN A 161
 None
None
NDP  A3001 (-3.9A)
NDP  A3001 (-3.8A)
NDP  A3001 (-3.1A)
 0.85A 2xtkA-3wg6A:
4.5		 2xtkA-3wg6A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wl1 CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		7 TYR A  30
PHE A  61
GLY A 106
ASP A 146
GLU A 148
TYR A 217
TRP A 372
 NAG  A 501 (-3.8A)
NAG  A 501 (-4.5A)
NAG  A 501 (-3.6A)
NAG  A 501 (-3.0A)
NAG  A 501 (-2.7A)
NAG  A 501 (-4.6A)
NAG  A 501 (-3.7A)
 0.75A 2xtkA-3wl1A:
21.0		 2xtkA-3wl1A:
20.75
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 TYR A  73
PHE A 117
GLY A 214
GLU A 256
TRP A 486
 None
 0.65A 2xtkA-4a5qA:
17.4		 2xtkA-4a5qA:
21.12
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.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		8 TYR X  12
GLY X  88
ALA X  89
ASP X 129
GLU X 131
GLN X 193
TYR X 195
TRP X 259
 ACT  X1288 ( 4.1A)
ZN  X1291 ( 4.5A)
None
ACT  X1288 (-2.9A)
ZN  X1291 (-2.5A)
ZN  X1294 ( 2.5A)
ACT  X1288 (-4.7A)
ACT  X1288 (-4.0A)
 0.65A 2xtkA-4ac1X:
23.2		 2xtkA-4ac1X:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 PHE A  66
GLY A 105
ALA A 106
ASP A 139
GLN A 206
TYR A 208
ASN A 209
TRP A 300
 None
None
None
ACT  A1331 (-2.7A)
ACT  A1331 (-3.7A)
ACT  A1331 (-4.6A)
None
ACT  A1330 ( 4.1A)
 0.73A 2xtkA-4axnA:
23.3		 2xtkA-4axnA:
23.34
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.
4axn CHITINASE C1

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		8 PHE A  66
GLY A 105
ASP A 139
GLN A 206
TYR A 208
ASN A 209
ALA A 269
TRP A 300
 None
None
ACT  A1331 (-2.7A)
ACT  A1331 (-3.7A)
ACT  A1331 (-4.6A)
None
None
ACT  A1330 ( 4.1A)
 0.52A 2xtkA-4axnA:
23.3		 2xtkA-4axnA:
23.34
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 TYR A 156
PHE A 200
GLY A 307
ASP A 347
TRP A 582
 None
None
None
None
GOL  A 701 (-4.2A)
 0.90A 2xtkA-4dwsA:
18.0		 2xtkA-4dwsA:
20.85
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 TYR A 156
PHE A 200
GLY A 307
GLU A 349
TRP A 582
 None
None
None
None
GOL  A 701 (-4.2A)
 0.61A 2xtkA-4dwsA:
18.0		 2xtkA-4dwsA:
20.85
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 TYR A 156
PHE A 200
GLY A 307
GLU A 349
TYR A 424
 None
 0.78A 2xtkA-4dwsA:
18.0		 2xtkA-4dwsA:
20.85
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		7 TYR A  36
PHE A  70
GLY A 117
ALA A 118
ASP A 151
ALA A 279
TRP A 311
 NAG  A 608 ( 3.8A)
NAG  A 608 (-4.4A)
NAG  A 608 ( 3.9A)
NAG  A 609 (-3.4A)
NAG  A 608 (-3.4A)
None
NAG  A 608 (-3.5A)
 1.06A 2xtkA-4mb5A:
23.8		 2xtkA-4mb5A:
21.34
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		10 TYR A  36
PHE A  70
GLY A 117
ALA A 118
ASP A 151
GLN A 218
TYR A 220
ASN A 221
ALA A 280
TRP A 311
 NAG  A 608 ( 3.8A)
NAG  A 608 (-4.4A)
NAG  A 608 ( 3.9A)
NAG  A 609 (-3.4A)
NAG  A 608 (-3.4A)
NAG  A 608 (-3.4A)
NAG  A 609 (-4.4A)
NAG  A 608 (-3.4A)
NAG  A 608 (-3.7A)
NAG  A 608 (-3.5A)
 0.61A 2xtkA-4mb5A:
23.8		 2xtkA-4mb5A:
21.34
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.
4mnm CHITINASE A

(Cycas revoluta) 		PF00704
(Glyco_hydro_18) 		5 PHE A  34
GLY A  76
ASP A 117
TYR A 191
TRP A 327
 None
 0.50A 2xtkA-4mnmA:
19.5		 2xtkA-4mnmA:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n42 XYLANASE AND
ALPHA-AMYLASE
INHIBITOR PROTEIN
ISOFORM III

(Scadoxus
multiflorus) 		PF00704
(Glyco_hydro_18) 		6 GLU A 125
GLN A 179
TYR A 181
ASN A 182
ALA A 223
TRP A 253
 None
 0.90A 2xtkA-4n42A:
35.0		 2xtkA-4n42A:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n42 XYLANASE AND
ALPHA-AMYLASE
INHIBITOR PROTEIN
ISOFORM III

(Scadoxus
multiflorus) 		PF00704
(Glyco_hydro_18) 		8 TYR A   8
PHE A  34
GLY A  76
GLN A 179
TYR A 181
ASN A 182
ALA A 223
TRP A 253
 None
 0.47A 2xtkA-4n42A:
35.0		 2xtkA-4n42A:
34.19
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.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		7 TYR A  28
PHE A  58
GLY A 113
ASP A 151
GLU A 153
TYR A 222
TRP A 395
 ACT  A 502 (-3.4A)
None
ACT  A 502 ( 4.6A)
ACT  A 502 (-3.0A)
ACT  A 502 (-3.8A)
GOL  A 504 ( 4.6A)
GOL  A 504 (-3.7A)
 0.68A 2xtkA-4q22A:
19.6		 2xtkA-4q22A:
24.05
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.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		6 TYR A 130
PHE A 157
GLY A 204
ASP A 245
GLN A 306
TYR A 308
 ACT  A 403 (-3.9A)
None
None
ACT  A 403 (-2.7A)
ACT  A 403 (-3.2A)
ACT  A 403 (-4.5A)
 0.65A 2xtkA-4rl3A:
21.5		 2xtkA-4rl3A:
25.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		5 TYR A   6
PHE A  32
GLY A  80
ASP A 125
ALA A 226
 None
 0.90A 2xtkA-4toqA:
35.1		 2xtkA-4toqA:
32.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		9 TYR A   6
PHE A  32
GLY A  80
ASP A 125
GLU A 127
GLN A 181
TYR A 183
ASN A 184
ALA A 227
 None
 0.55A 2xtkA-4toqA:
35.1		 2xtkA-4toqA:
32.58
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.
4tx8 PROBABLE CHITINASE A

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		8 TYR A  88
PHE A 116
ASP A 194
GLN A 268
TYR A 270
ASN A 271
ALA A 333
TRP A 374
 None
FLC  A 506 (-4.4A)
FLC  A 506 ( 3.0A)
FLC  A 505 ( 2.7A)
FLC  A 505 (-4.2A)
FLC  A 504 ( 4.3A)
None
FLC  A 505 (-3.0A)
 0.50A 2xtkA-4tx8A:
24.5		 2xtkA-4tx8A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx8 PROBABLE CHITINASE A

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		6 TYR A  88
PHE A 116
GLY A 158
ASP A 194
GLN A 268
TYR A 270
 None
FLC  A 506 (-4.4A)
FLC  A 506 (-3.0A)
FLC  A 506 ( 3.0A)
FLC  A 505 ( 2.7A)
FLC  A 505 (-4.2A)
 0.96A 2xtkA-4tx8A:
24.5		 2xtkA-4tx8A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx8 PROBABLE CHITINASE A

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		8 TYR A  88
PHE A 116
GLY A 159
GLN A 268
TYR A 270
ASN A 271
ALA A 333
TRP A 374
 None
FLC  A 506 (-4.4A)
FLC  A 506 (-3.3A)
FLC  A 505 ( 2.7A)
FLC  A 505 (-4.2A)
FLC  A 504 ( 4.3A)
None
FLC  A 505 (-3.0A)
 0.69A 2xtkA-4tx8A:
24.5		 2xtkA-4tx8A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 TYR A 159
PHE A 190
GLY A 254
ASP A 312
GLU A 314
TYR A 397
TRP A 603
 None
None
None
None
CS  A 803 (-2.9A)
CS  A 812 (-4.4A)
CS  A 812 ( 4.2A)
 0.86A 2xtkA-4txgA:
17.7		 2xtkA-4txgA:
16.96
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		6 TYR A   6
PHE A  30
GLY A  72
ASP A 114
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-4.3A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 1.03A 2xtkA-4uriA:
19.7		 2xtkA-4uriA:
25.55
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		6 TYR A   6
PHE A  30
GLY A  72
GLU A 116
TYR A 185
TRP A 317
 MPD  A 401 (-3.5A)
None
MPD  A 401 ( 4.6A)
MPD  A 401 (-2.7A)
MPD  A 401 (-4.8A)
MPD  A 401 (-3.8A)
 0.67A 2xtkA-4uriA:
19.7		 2xtkA-4uriA:
25.55
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 7 TYR B  46
PHE B  78
GLY B 141
ASP B 181
GLU B 183
TYR B 250
TRP B 388
 None
 0.77A 2xtkA-4w5uB:
19.2		 2xtkA-4w5uB:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		10 TYR A  36
PHE A  70
GLY A 117
ALA A 118
ASP A 151
GLN A 218
TYR A 220
ASN A 221
ALA A 280
TRP A 311
 ACT  A 404 (-2.7A)
None
None
MPD  A 402 ( 4.3A)
ACT  A 404 (-2.7A)
ACT  A 404 (-3.5A)
ACT  A 404 (-4.6A)
MPD  A 402 ( 4.6A)
None
MPD  A 402 ( 3.4A)
 0.71A 2xtkA-4w5zA:
23.9		 2xtkA-4w5zA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		6 TYR A  36
PHE A  70
GLY A 117
ASP A 151
ALA A 279
TRP A 311
 ACT  A 404 (-2.7A)
None
None
ACT  A 404 (-2.7A)
None
MPD  A 402 ( 3.4A)
 1.10A 2xtkA-4w5zA:
23.9		 2xtkA-4w5zA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wiw GLYCOSIDE HYDROLASE
FAMILY 18

(Desulfitobacterium
hafniense) 		PF00704
(Glyco_hydro_18) 		5 TYR A 348
ASP A 458
GLU A 460
TYR A 532
TRP A 666
 None
CA  A 704 ( 4.4A)
CA  A 704 (-2.8A)
None
None
 0.95A 2xtkA-4wiwA:
17.7		 2xtkA-4wiwA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		6 TYR A 153
PHE A 181
GLY A 264
GLU A 305
TYR A 381
TRP A 528
 58Y  A 605 (-3.6A)
58Y  A 605 (-4.5A)
58Y  A 605 ( 4.2A)
58Y  A 605 (-3.1A)
58Y  A 605 (-4.9A)
58Y  A 605 (-3.7A)
 0.72A 2xtkA-5df0A:
18.8		 2xtkA-5df0A:
21.17
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.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		6 TYR A 156
PHE A 184
GLY A 267
GLU A 308
TYR A 383
TRP A 532
 TYR  A 156 ( 1.3A)
PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
GLU  A 308 ( 0.6A)
TYR  A 383 ( 1.3A)
TRP  A 532 ( 0.5A)
 0.74A 2xtkA-5gprA:
19.8		 2xtkA-5gprA:
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		6 TYR B 564
PHE B 590
GLY B 651
ASP B 689
TYR B 766
TRP B 905
 None
 1.03A 2xtkA-5gztB:
19.6		 2xtkA-5gztB:
13.41
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		6 TYR B 564
PHE B 590
GLY B 651
GLU B 691
TYR B 766
TRP B 905
 None
 0.74A 2xtkA-5gztB:
19.6		 2xtkA-5gztB:
13.41
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		6 TYR B1051
PHE B1077
GLY B1137
ASP B1175
TYR B1252
TRP B1396
 None
 1.03A 2xtkA-5gztB:
19.6		 2xtkA-5gztB:
13.41
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		6 TYR B1051
PHE B1077
GLY B1137
GLU B1177
TYR B1252
TRP B1396
 None
 0.75A 2xtkA-5gztB:
19.6		 2xtkA-5gztB:
13.41
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		6 TYR A 564
PHE A 590
GLY A 651
ASP A 689
TYR A 766
TRP A 905
 None
 0.98A 2xtkA-5gzuA:
20.1		 2xtkA-5gzuA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		6 TYR A 564
PHE A 590
GLY A 651
GLU A 691
TYR A 766
TRP A 905
 None
 0.72A 2xtkA-5gzuA:
20.1		 2xtkA-5gzuA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		6 TYR A1051
PHE A1077
GLY A1137
ASP A1175
TYR A1252
TRP A1396
 None
 0.99A 2xtkA-5gzuA:
20.1		 2xtkA-5gzuA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		6 TYR A1051
PHE A1077
GLY A1137
GLU A1177
TYR A1252
TRP A1396
 None
 0.71A 2xtkA-5gzuA:
20.1		 2xtkA-5gzuA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 6 TYR A  98
PHE A 129
GLY A 175
ASP A 215
TYR A 285
TRP A 433
 NAG  A 504 (-3.7A)
NAG  A 505 (-4.5A)
NAG  A 504 (-3.7A)
NAG  A 504 (-3.8A)
NAG  A 504 (-4.5A)
NAG  A 504 (-3.6A)
 1.10A 2xtkA-5wvbA:
20.5		 2xtkA-5wvbA:
13.25
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 6 TYR A 534
PHE A 565
GLY A 605
ASP A 645
TYR A 715
TRP A 864
 NAG  A1003 ( 4.2A)
NAG  A1003 ( 4.8A)
NAG  A1003 (-3.5A)
NAG  A1003 (-3.9A)
NAG  A1003 (-4.5A)
NAG  A1003 (-3.4A)
 1.17A 2xtkA-5wvgA:
20.7		 2xtkA-5wvgA:
12.62
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 TYR A  27
PHE A  58
GLY A  99
TYR A 207
TRP A 353
 None
 0.68A 2xtkA-5xepA:
21.6		 2xtkA-5xepA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 7 TYR A  82
PHE A 104
GLY A 141
ASP A 180
GLU A 182
TYR A 256
TRP A 425
 None
 0.76A 2xtkA-5xwqA:
17.8		 2xtkA-5xwqA:
14.38
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 7 TYR A1617
PHE A1648
GLY A1690
ASP A1731
GLU A1733
TYR A1803
TRP A1961
 None
 0.70A 2xtkA-5y29A:
21.1		 2xtkA-5y29A:
12.09
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 6 TYR A2063
PHE A2094
GLY A2137
ASP A2178
GLU A2180
TRP A2398
 None
 0.68A 2xtkA-5y2aA:
20.7		 2xtkA-5y2aA:
14.63
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 6 TYR A2063
PHE A2094
GLY A2137
ASP A2178
GLU A2180
TYR A2250
 None
 0.79A 2xtkA-5y2aA:
20.7		 2xtkA-5y2aA:
14.63
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 7 TYR A 163
PHE A 191
GLY A 274
ASP A 313
GLU A 315
TYR A 392
TRP A 541
 GOL  A 706 (-4.1A)
GOL  A 706 (-4.9A)
GOL  A 706 ( 4.1A)
GOL  A 706 (-3.5A)
GOL  A 706 (-3.3A)
GOL  A 706 (-4.8A)
GOL  A 706 ( 3.8A)
 0.69A 2xtkA-5zl9A:
19.9		 2xtkA-5zl9A:
14.33