SIMILAR PATTERNS OF AMINO ACIDS FOR 1DY4_A_SNPA437_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		5 HIS A 228
TRP A 367
TYR A 371
ALA A 372
TRP A 376
 GLC  A 904 (-4.0A)
None
None
None
GLC  A 904 (-3.5A)
 0.32A 1dy4A-1q2eA:
70.9		 1dy4A-1q2eA:
97.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9h CELLOBIOHYDROLASE I
CATALYTIC DOMAIN

(Rasamsonia
emersonii) 		PF00840
(Glyco_hydro_7) 		4 HIS A 225
TRP A 371
ALA A 376
TRP A 380
 None
 0.29A 1dy4A-1q9hA:
64.4		 1dy4A-1q9hA:
66.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z3v CELLULASE

(Phanerochaete
chrysosporium) 		PF00840
(Glyco_hydro_7) 		4 HIS A 223
TRP A 364
ALA A 369
TRP A 373
 LAT  A 500 ( 4.9A)
None
LAT  A 500 ( 4.3A)
LAT  A 500 (-3.7A)
 0.29A 1dy4A-1z3vA:
62.2		 1dy4A-1z3vA:
55.28
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 HIS A 748
TRP A 627
ALA A 654
TRP A 629
 None
 1.34A 1dy4A-2bucA:
undetectable		 1dy4A-2bucA:
21.27
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.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 HIS A 748
TRP A 627
ALA A 654
TRP A 629
 None
 1.44A 1dy4A-2g5tA:
undetectable		 1dy4A-2g5tA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 HIS A 749
TRP A 628
ALA A 655
TRP A 630
 None
 1.44A 1dy4A-2oaeA:
undetectable		 1dy4A-2oaeA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		4 HIS A 228
TRP A 366
ALA A 371
TRP A 375
 CTR  A 431 (-4.1A)
CTR  A 432 (-4.6A)
None
CTR  A 431 (-4.0A)
 0.44A 1dy4A-2rfzA:
61.9		 1dy4A-2rfzA:
50.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Heterobasidion
annosum) 		PF00840
(Glyco_hydro_7) 		4 HIS A 230
TRP A 375
ALA A 380
TRP A 384
 None
 0.35A 1dy4A-2yg1A:
61.7		 1dy4A-2yg1A:
56.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 HIS A 141
TRP A 239
TYR A 211
ALA A 215
 ACI  A 694 (-3.9A)
None
None
None
 1.44A 1dy4A-3bmwA:
undetectable		 1dy4A-3bmwA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		5 HIS A 249
TRP A 392
TYR A 396
ALA A 397
TRP A 401
 None
None
CBI  A 501 (-4.5A)
CBI  A 501 ( 4.4A)
CBI  A 501 ( 3.8A)
 0.29A 1dy4A-4haqA:
61.2		 1dy4A-4haqA:
53.95
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 HIS A 140
TRP A 238
TYR A 210
ALA A 214
 GOL  A 711 (-4.0A)
None
None
None
 1.45A 1dy4A-4jclA:
undetectable		 1dy4A-4jclA:
21.97
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		4 HIS A  32
TRP A 414
ALA A 504
TRP A 420
 CBI  A 701 ( 4.4A)
CBI  A 701 ( 3.9A)
None
None
 1.31A 1dy4A-4jjjA:
undetectable		 1dy4A-4jjjA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lyp EXO-BETA-1,4-MANNOSI
DASE

(Rhizomucor
miehei) 		no annotation 4 HIS A 379
TRP A 257
ALA A 305
TRP A 384
 TRS  A 503 (-4.3A)
TRS  A 503 (-3.7A)
None
None
 1.44A 1dy4A-4lypA:
undetectable		 1dy4A-4lypA:
20.20
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.
4pcs ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		4 TRP A 100
TYR A  82
ALA A  93
TRP A  77
 None
 1.37A 1dy4A-4pcsA:
undetectable		 1dy4A-4pcsA:
19.64
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.
4r7k HYPOTHETICAL PROTEIN
JHP0584

(Helicobacter
pylori) 		no annotation 4 HIS A 155
TRP A  46
ALA A  83
TRP A  99
 None
 0.94A 1dy4A-4r7kA:
undetectable		 1dy4A-4r7kA:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4v20 CELLOBIOHYDROLASE

(Aspergillus
fumigatus) 		PF00840
(Glyco_hydro_7) 		4 HIS A 228
TRP A 374
ALA A 379
TRP A 383
 U63  A1443 (-4.2A)
None
U63  A1443 ( 4.9A)
U63  A1443 (-3.6A)
 0.35A 1dy4A-4v20A:
65.2		 1dy4A-4v20A:
64.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		4 HIS A 227
TRP A 373
ALA A 378
TRP A 382
 None
 0.58A 1dy4A-4zzpA:
63.9		 1dy4A-4zzpA:
58.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		4 HIS A 227
TRP A 373
ALA A 378
TRP A 382
 None
 0.48A 1dy4A-4zzqA:
63.6		 1dy4A-4zzqA:
59.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		5 HIS A 228
TRP A 371
TYR A 375
ALA A 376
TRP A 380
 None
 0.35A 1dy4A-5ampA:
64.2		 1dy4A-5ampA:
63.72
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.
5ax7 PYRUVYL TRANSFERASE
1

(Schizosaccharomyces
pombe) 		PF04230
(PS_pyruv_trans) 		4 HIS A 351
TRP A 297
TYR A 320
ALA A 108
 None
 1.11A 1dy4A-5ax7A:
undetectable		 1dy4A-5ax7A:
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.
5nx7 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus) 		no annotation 4 HIS A 152
TRP A 145
ALA A 121
TRP A  76
 None
 1.23A 1dy4A-5nx7A:
undetectable		 1dy4A-5nx7A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 HIS A 677
TRP A 894
ALA A 754
TRP A 755
 None
 1.27A 1dy4A-5nz7A:
undetectable		 1dy4A-5nz7A:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 4 HIS A 228
TRP A 367
ALA A 372
TRP A 376
 GOL  A 608 (-4.0A)
GOL  A 607 ( 3.5A)
None
BTB  A 604 (-4.9A)
 0.35A 1dy4A-5o5dA:
68.9		 1dy4A-5o5dA:
13.13
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.
6et8 -

(-) 		no annotation 4 HIS A  78
TRP A  27
ALA A  53
TRP A  56
 BWH  A 301 (-4.1A)
BWH  A 301 (-3.6A)
None
None
 1.33A 1dy4A-6et8A:
undetectable		 1dy4A-6et8A:
undetectable