SIMILAR PATTERNS OF AMINO ACIDS FOR 4TZU_B_Y70B505_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 HIS A 238
TRP A 212
TRP A 213
THR A 328
 None
None
BGC  A 401 ( 3.8A)
BGC  A 403 ( 4.5A)
 1.41A 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 HIS A 547
TRP A 510
PHE A 386
TRP A 545
 None
 0.89A 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 HIS A 180
TRP A 194
PHE A 193
THR A 227
 G6D  A 505 ( 3.7A)
None
None
None
 1.36A 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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 TRP A 320
PHE A   6
THR A 327
TRP A 707
 None
 1.27A 4tzuB-1v7vA:
0.0
4tzuC-1v7vA:
undetectable		 4tzuB-1v7vA:
9.09
4tzuC-1v7vA:
9.09
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		4 HIS A 141
TRP A 324
TRP A 147
TRP A 142
 None
NM2  A1504 ( 4.6A)
None
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.
2yfk ASPARTATE/ORNITHINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 HIS A 307
TRP A 272
THR A 254
TRP A 310
 None
 1.46A 4tzuB-2yfkA:
0.0
4tzuC-2yfkA:
0.0		 4tzuB-2yfkA:
14.68
4tzuC-2yfkA:
14.68
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 HIS A 123
TRP A 127
PHE A 217
THR A 451
 None
 1.42A 4tzuB-3k1dA:
1.0
4tzuC-3k1dA:
1.0		 4tzuB-3k1dA:
8.86
4tzuC-3k1dA:
8.86
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.
3k81 SINGLE STRAND
ANTIBODY VHH DOMAIN

(Lama glama) 		PF07686
(V-set) 		4 TRP A  34
PHE A  29
THR A 115
TRP A  36
 None
 1.18A 4tzuB-3k81A:
undetectable
4tzuC-3k81A:
0.0		 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 HIS A 174
TRP A 426
THR A 341
TRP A 419
 None
 1.32A 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 HIS A  58
TRP A  70
TRP A  71
THR A  83
 None
 1.35A 4tzuB-3vvlA:
0.0
4tzuC-3vvlA:
0.0		 4tzuB-3vvlA:
13.72
4tzuC-3vvlA:
13.72
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)
 0.23A 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 HIS A 141
TRP A 324
TRP A 147
TRP A 142
 None
NM2  A 601 (-3.8A)
None
None
 1.33A 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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		4 HIS A 256
TRP A 255
PHE A 211
THR A 598
 None
None
None
FDA  A 801 (-3.4A)
 1.36A 4tzuB-4mifA:
undetectable
4tzuC-4mifA:
undetectable		 4tzuB-4mifA:
10.47
4tzuC-4mifA:
10.47
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.
4p5b THYMIDYLATE SYNTHASE
THYX

(Streptomyces
cacaoi) 		PF02511
(Thy1) 		4 HIS A 188
TRP A  90
PHE A  92
THR A 194
 FAD  A 301 (-4.0A)
None
None
None
 1.34A 4tzuB-4p5bA:
undetectable
4tzuC-4p5bA:
undetectable		 4tzuB-4p5bA:
17.39
4tzuC-4p5bA:
17.39
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.
4rd8 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 HIS A 129
TRP A 133
PHE A  86
THR A 176
 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)
 0.22A 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 HIS A 174
TRP A 177
PHE A 195
THR A 439
 MN  A 581 (-3.3A)
None
None
None
 1.23A 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 HIS A  85
TRP A 338
THR A 255
TRP A 331
 None
 1.41A 4tzuB-4zq8A:
undetectable
4tzuC-4zq8A:
undetectable		 4tzuB-4zq8A:
17.33
4tzuC-4zq8A:
17.33
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.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 TRP A  18
PHE A  46
THR A   6
TRP A 262
 None
 1.49A 4tzuB-5gxdA:
undetectable
4tzuC-5gxdA:
undetectable		 4tzuB-5gxdA:
10.72
4tzuC-5gxdA:
10.72
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
 0.39A 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 HIS A  58
TRP A  26
PHE A  28
THR A  54
 NI  A 201 ( 3.3A)
7BC  A 202 (-3.6A)
None
None
 1.28A 4tzuB-5tfzA:
undetectable
4tzuC-5tfzA:
undetectable		 4tzuB-5tfzA:
21.15
4tzuC-5tfzA:
21.15