SIMILAR PATTERNS OF AMINO ACIDS FOR 5YJ1_Y_6ELY501_0

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.
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
 0.92A 5yj1G-1m1cA:
0.0
5yj1Y-1m1cA:
0.0		 5yj1G-1m1cA:
8.33
5yj1Y-1m1cA:
8.33
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.
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
 1.33A 5yj1G-1ua7A:
0.4
5yj1Y-1ua7A:
0.4		 5yj1G-1ua7A:
13.30
5yj1Y-1ua7A:
13.30
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 THR A 327
TRP A 707
TRP A 320
PHE A   6
 None
 1.23A 5yj1G-1v7vA:
0.0
5yj1Y-1v7vA:
0.0		 5yj1G-1v7vA:
8.51
5yj1Y-1v7vA:
8.51
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.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 THR A 140
HIS A 306
TRP A  79
PHE A 122
 None
None
None
2CL  A 317 ( 4.9A)
 1.48A 5yj1G-2is7A:
undetectable
5yj1Y-2is7A:
undetectable		 5yj1G-2is7A:
15.11
5yj1Y-2is7A:
15.11
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.
2yfk ASPARTATE/ORNITHINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A 254
TRP A 310
HIS A 307
TRP A 272
 None
 1.40A 5yj1G-2yfkA:
0.0
5yj1Y-2yfkA:
0.0		 5yj1G-2yfkA:
14.64
5yj1Y-2yfkA:
14.64
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.
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
 1.16A 5yj1G-3k81A:
undetectable
5yj1Y-3k81A:
0.0		 5yj1G-3k81A:
19.12
5yj1Y-3k81A:
19.12
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 4 THR A 341
TRP A 419
HIS A 174
TRP A 426
 None
 1.35A 5yj1G-3v1vA:
undetectable
5yj1Y-3v1vA:
undetectable		 5yj1G-3v1vA:
13.41
5yj1Y-3v1vA:
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.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		4 THR A  83
HIS A  58
TRP A  70
TRP A  71
 None
 1.36A 5yj1G-3vvlA:
0.0
5yj1Y-3vvlA:
0.0		 5yj1G-3vvlA:
13.80
5yj1Y-3vvlA:
13.80
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)
 0.21A 5yj1G-4ci2B:
17.0
5yj1Y-4ci2B:
17.4		 5yj1G-4ci2B:
34.47
5yj1Y-4ci2B:
34.47
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.
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
 1.43A 5yj1G-4m8jA:
undetectable
5yj1Y-4m8jA:
undetectable		 5yj1G-4m8jA:
12.10
5yj1Y-4m8jA:
12.10
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 THR A 598
HIS A 256
TRP A 255
PHE A 211
 FDA  A 801 (-3.4A)
None
None
None
 1.37A 5yj1G-4mifA:
0.0
5yj1Y-4mifA:
undetectable		 5yj1G-4mifA:
10.64
5yj1Y-4mifA:
10.64
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.
4p5b THYMIDYLATE SYNTHASE
THYX

(Streptomyces
cacaoi) 		PF02511
(Thy1) 		4 THR A 194
HIS A 188
TRP A  90
PHE A  92
 None
FAD  A 301 (-4.0A)
None
None
 1.34A 5yj1G-4p5bA:
undetectable
5yj1Y-4p5bA:
undetectable		 5yj1G-4p5bA:
17.96
5yj1Y-4p5bA:
17.96
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.
4rd8 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 THR A 176
HIS A 129
TRP A 133
PHE A  86
 None
 1.18A 5yj1G-4rd8A:
undetectable
5yj1Y-4rd8A:
undetectable		 5yj1G-4rd8A:
19.34
5yj1Y-4rd8A:
19.34
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)
 0.23A 5yj1G-4tzcC:
19.6
5yj1Y-4tzcC:
20.5		 5yj1G-4tzcC:
98.17
5yj1Y-4tzcC:
98.17
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.
4yo2 TRANSCRIPTION FACTOR
E2F8

(Homo sapiens) 		PF02319
(E2F_TDP) 		4 THR A 189
HIS A 181
TRP A 180
PHE A 125
 None
 1.49A 5yj1G-4yo2A:
undetectable
5yj1Y-4yo2A:
undetectable		 5yj1G-4yo2A:
17.81
5yj1Y-4yo2A:
17.81
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
 1.44A 5yj1G-4zq8A:
undetectable
5yj1Y-4zq8A:
undetectable		 5yj1G-4zq8A:
16.30
5yj1Y-4zq8A:
16.30
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 THR A   6
TRP A 262
TRP A  18
PHE A  46
 None
 1.45A 5yj1G-5gxdA:
undetectable
5yj1Y-5gxdA:
undetectable		 5yj1G-5gxdA:
10.67
5yj1Y-5gxdA:
10.67
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.
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
 0.40A 5yj1G-5hxbZ:
9.7
5yj1Y-5hxbZ:
9.9		 5yj1G-5hxbZ:
27.62
5yj1Y-5hxbZ:
27.62
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5,
MITOCHONDRIAL,NADH
DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5,
MITOCHONDRIAL,NADH
DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5,
MITOCHONDRIAL,NADH
DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5, MITOCHONDRIAL

(Bos taurus;
Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N)
PF00146
(NADHdh) 		4 THR M 365
HIS M 440
TRP M 358
PHE h  21
 None
 1.08A 5yj1G-5lc5M:
undetectable
5yj1Y-5lc5M:
undetectable		 5yj1G-5lc5M:
12.44
5yj1Y-5lc5M:
12.44
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.
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 5yj1G-5tfzA:
undetectable
5yj1Y-5tfzA:
undetectable		 5yj1G-5tfzA:
20.51
5yj1Y-5tfzA:
20.51
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.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 4 THR A 254
HIS A 156
TRP A 176
PHE A 175
 None
 1.13A 5yj1G-5wh8A:
undetectable
5yj1Y-5wh8A:
undetectable		 5yj1G-5wh8A:
undetectable
5yj1Y-5wh8A:
undetectable