SIMILAR PATTERNS OF AMINO ACIDS FOR 3ARQ_A_DM5A606_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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		4 TRP A 131
ASP A 240
TRP A 245
ARG A 295
 None
 0.86A 3arqA-1d2kA:
40.6		 3arqA-1d2kA:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ASP A 375
TRP A 398
TYR A 405
ARG A 356
 None
 1.34A 3arqA-1f4hA:
undetectable		 3arqA-1f4hA:
19.70
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 TRP A  99
ASP A 213
TRP A 218
ARG A 269
 NAA  A1390 ( 4.3A)
AMI  A1388 ( 2.9A)
NAA  A1390 (-3.2A)
NAA  A1389 (-3.2A)
 0.42A 3arqA-1hkkA:
41.3		 3arqA-1hkkA:
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		4 TRP A 164
ASP A 280
TRP A 285
ARG A 340
 None
 0.57A 3arqA-1itxA:
44.2		 3arqA-1itxA:
29.74
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) 		4 TRP A 136
ASP A 272
TRP A 277
ARG A 330
 None
GOL  A 530 (-3.7A)
None
None
 0.46A 3arqA-1kfwA:
40.0		 3arqA-1kfwA:
26.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		4 TRP A  99
LYS A 186
ASP A 208
ARG A 263
 None
 0.92A 3arqA-1wnoA:
40.5		 3arqA-1wnoA:
25.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 TRP A 275
LYS A 369
ASP A 391
TYR A 418
ARG A 446
 SN5  A1566 (-3.3A)
SN5  A1567 (-3.2A)
NGT  A1565 (-2.9A)
SN5  A1567 (-2.9A)
SN5  A1566 ( 3.5A)
 0.58A 3arqA-2wk2A:
56.1		 3arqA-2wk2A:
51.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		6 TRP A 275
LYS A 370
ASP A 392
TRP A 397
TYR A 435
ARG A 463
 None
 0.55A 3arqA-3b9eA:
63.9		 3arqA-3b9eA:
99.83
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.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		4 TRP A 134
ASP A 243
TRP A 248
ARG A 298
 None
 0.84A 3arqA-3g6lA:
40.9		 3arqA-3g6lA:
26.25
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.
3pq1 POLY(A) RNA
POLYMERASE

(Homo sapiens) 		no annotation 4 LYS A 400
ASP A 347
TYR A 343
ARG A 349
 None
 1.49A 3arqA-3pq1A:
undetectable		 3arqA-3pq1A:
20.03
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.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		4 TRP A 107
ASP A 218
TRP A 223
ARG A 274
 None
 0.70A 3arqA-3w4rA:
41.0		 3arqA-3w4rA:
22.73
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.
3wl1 CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		4 TRP A 107
ASP A 218
TRP A 223
ARG A 274
 NAG  A 505 ( 3.4A)
NAG  A 501 ( 3.2A)
NAG  A 505 (-4.0A)
NAG  A 505 ( 3.6A)
 0.77A 3arqA-3wl1A:
41.1		 3arqA-3wl1A:
25.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		4 TRP A 215
ASP A 326
TYR A 352
ARG A 381
 None
 0.80A 3arqA-4a5qA:
34.2		 3arqA-4a5qA:
26.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 5 TRP B 142
LYS B 229
ASP B 251
TRP B 256
ARG B 307
 MLI  B 501 ( 3.8A)
None
MLI  B 501 ( 4.7A)
MLI  B 501 ( 4.2A)
None
 0.82A 3arqA-4w5uB:
42.4		 3arqA-4w5uB:
30.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		6 TRP A 265
LYS A 360
ASP A 382
TRP A 387
TYR A 409
ARG A 437
 NAG  A 603 ( 3.9A)
None
58Y  A 605 ( 3.0A)
NAG  A 603 (-4.5A)
None
58Y  A 605 ( 3.3A)
 0.79A 3arqA-5df0A:
54.0		 3arqA-5df0A:
44.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		6 TRP A 268
LYS A 362
ASP A 384
TRP A 389
TYR A 411
ARG A 439
 TRP  A 268 ( 0.5A)
LYS  A 362 ( 0.0A)
ASP  A 384 ( 0.5A)
TRP  A 389 (-0.5A)
TYR  A 411 ( 1.3A)
ARG  A 439 ( 0.6A)
 0.55A 3arqA-5gprA:
55.3		 3arqA-5gprA:
50.34
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 TRP A 652
ASP A 767
TRP A 772
ARG A 818
 None
 0.84A 3arqA-5gzuA:
40.1		 3arqA-5gzuA:
23.33
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.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 TRP A 176
ASP A 286
TRP A 291
ARG A 342
 NAG  A 503 (-3.3A)
NAG  A 504 (-3.5A)
NAG  A 502 (-4.0A)
NAG  A 503 (-3.7A)
 0.59A 3arqA-5wvbA:
39.3		 3arqA-5wvbA:
11.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 TRP A 606
ASP A 716
TRP A 721
ARG A 772
 NAG  A1004 (-3.4A)
NAG  A1003 (-3.1A)
NAG  A1005 (-3.8A)
NAG  A1004 (-3.1A)
 0.56A 3arqA-5wvgA:
40.8		 3arqA-5wvgA:
9.19