SIMILAR PATTERNS OF AMINO ACIDS FOR 4TZU_C_Y70C504_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.
1ece ENDOCELLULASE E1

(Acidothermus
cellulolyticus) 		PF00150
(Cellulase) 		4 THR A 328
HIS A 238
TRP A 212
TRP A 213
 BGC  A 403 ( 4.5A)
None
None
BGC  A 401 ( 3.8A)
 1.27A 4tzuB-1eceA:
0.0
4tzuC-1eceA:
0.0		 4tzuB-1eceA:
12.57
4tzuC-1eceA:
12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		4 TRP A 545
HIS A 547
TRP A 510
PHE A 386
 None
 0.87A 4tzuB-1m1cA:
undetectable
4tzuC-1m1cA:
undetectable		 4tzuB-1m1cA:
8.41
4tzuC-1m1cA:
8.41
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		4 THR A 227
HIS A 180
TRP A 194
PHE A 193
 None
G6D  A 505 ( 3.7A)
None
None
 1.35A 4tzuB-1ua7A:
0.4
4tzuC-1ua7A:
0.3		 4tzuB-1ua7A:
13.38
4tzuC-1ua7A:
13.38
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 THR A 414
HIS A 615
TRP A 610
PHE A 619
 None
 1.32A 4tzuB-2wanA:
0.6
4tzuC-2wanA:
0.6		 4tzuB-2wanA:
8.20
4tzuC-2wanA:
8.20
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		4 TRP A 142
HIS A 141
TRP A 324
TRP A 147
 None
None
NM2  A1504 ( 4.6A)
None
 1.42A 4tzuB-2wsxA:
undetectable
4tzuC-2wsxA:
undetectable		 4tzuB-2wsxA:
13.79
4tzuC-2wsxA:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 THR A 386
HIS A 297
TRP A 272
TRP A 273
 None
None
None
CBI  A 459 (-3.9A)
 1.24A 4tzuB-3axxA:
0.0
4tzuC-3axxA:
0.0		 4tzuB-3axxA:
12.42
4tzuC-3axxA:
12.42
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.
3k81 SINGLE STRAND
ANTIBODY VHH DOMAIN

(Lama glama) 		PF07686
(V-set) 		4 THR A 115
TRP A  36
TRP A  34
PHE A  29
 None
 1.13A 4tzuB-3k81A:
undetectable
4tzuC-3k81A:
undetectable		 4tzuB-3k81A:
19.40
4tzuC-3k81A:
19.40
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 4 THR A 341
TRP A 419
HIS A 174
TRP A 426
 None
 1.28A 4tzuB-3v1vA:
undetectable
4tzuC-3v1vA:
undetectable		 4tzuB-3v1vA:
13.78
4tzuC-3v1vA:
13.78
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.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		4 THR A  83
HIS A  58
TRP A  70
TRP A  71
 None
 1.38A 4tzuB-3vvlA:
0.0
4tzuC-3vvlA:
0.0		 4tzuB-3vvlA:
13.72
4tzuC-3vvlA:
13.72
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 THR A 386
HIS A 297
TRP A 272
TRP A 273
 None
 1.26A 4tzuB-3w6mA:
0.0
4tzuC-3w6mA:
0.0		 4tzuB-3w6mA:
14.41
4tzuC-3w6mA:
14.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ci2 PROTEIN CEREBLON

(Gallus gallus) 		PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18) 		4 TRP B 382
TRP B 388
TRP B 402
PHE B 404
 LVY  B1429 (-3.1A)
LVY  B1429 (-3.5A)
LVY  B1429 (-3.7A)
LVY  B1429 (-4.5A)
 0.27A 4tzuB-4ci2B:
17.7
4tzuC-4ci2B:
17.5		 4tzuB-4ci2B:
90.74
4tzuC-4ci2B:
90.74
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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		4 TRP A 142
HIS A 141
TRP A 324
TRP A 147
 None
None
NM2  A 601 (-3.8A)
None
 1.34A 4tzuB-4m8jA:
undetectable
4tzuC-4m8jA:
undetectable		 4tzuB-4m8jA:
11.11
4tzuC-4m8jA:
11.11
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.
4rd8 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 THR A 176
HIS A 129
TRP A 133
PHE A  86
 None
 1.23A 4tzuB-4rd8A:
undetectable
4tzuC-4rd8A:
undetectable		 4tzuB-4rd8A:
19.21
4tzuC-4rd8A:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tzc PROTEIN CEREBLON

(Mus musculus) 		no annotation 5 HIS C 380
TRP C 382
TRP C 388
TRP C 402
PHE C 404
 EF2  C 502 ( 4.9A)
EF2  C 502 ( 3.2A)
EF2  C 502 (-3.5A)
EF2  C 502 (-3.8A)
EF2  C 502 (-4.5A)
 0.19A 4tzuB-4tzcC:
20.1
4tzuC-4tzcC:
20.0		 4tzuB-4tzcC:
100.00
4tzuC-4tzcC:
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		4 THR A 439
HIS A 174
TRP A 177
PHE A 195
 None
MN  A 581 (-3.3A)
None
None
 1.27A 4tzuB-4uwqA:
undetectable
4tzuC-4uwqA:
undetectable		 4tzuB-4uwqA:
10.14
4tzuC-4uwqA:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zq8 ISOPRENOID SYNTHASE

(Streptomyces
lydicus) 		no annotation 4 THR A 255
TRP A 331
HIS A  85
TRP A 338
 None
 1.36A 4tzuB-4zq8A:
undetectable
4tzuC-4zq8A:
undetectable		 4tzuB-4zq8A:
17.33
4tzuC-4zq8A:
17.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hxb PROTEIN CEREBLON

(Homo sapiens) 		no annotation 4 TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
 85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
 0.44A 4tzuB-5hxbZ:
10.0
4tzuC-5hxbZ:
9.9		 4tzuB-5hxbZ:
97.22
4tzuC-5hxbZ:
97.22
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.
5tfz DIMETHYLSULFONIOPROP
IONATE LYASE DDDK

(Candidatus
Pelagibacter
ubique) 		PF07883
(Cupin_2) 		4 THR A  54
HIS A  58
TRP A  26
PHE A  28
 None
NI  A 201 ( 3.3A)
7BC  A 202 (-3.6A)
None
 1.29A 4tzuB-5tfzA:
undetectable
4tzuC-5tfzA:
undetectable		 4tzuB-5tfzA:
21.15
4tzuC-5tfzA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 4 THR A 160
HIS A 366
TRP A 361
PHE A 370
 None
 1.37A 4tzuB-5ww1A:
undetectable
4tzuC-5ww1A:
undetectable		 4tzuB-5ww1A:
19.30
4tzuC-5ww1A:
19.30