SIMILAR PATTERNS OF AMINO ACIDS FOR 5YJ1_K_6ELK501

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 HIS A 547
TRP A 510
PHE A 386
TRP A 545
 None
 0.93A 5yj1k-1m1cA:
undetectable
5yj1t-1m1cA:
0.0		 5yj1k-1m1cA:
8.33
5yj1t-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 HIS A 180
TRP A 194
PHE A 193
THR A 227
 G6D  A 505 ( 3.7A)
None
None
None
 1.43A 5yj1k-1ua7A:
0.2
5yj1t-1ua7A:
0.0		 5yj1k-1ua7A:
13.30
5yj1t-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 TRP A 320
PHE A   6
THR A 327
TRP A 707
 None
 1.22A 5yj1k-1v7vA:
0.0
5yj1t-1v7vA:
0.0		 5yj1k-1v7vA:
8.51
5yj1t-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 HIS A 306
TRP A  79
PHE A 122
THR A 140
 None
None
2CL  A 317 ( 4.9A)
None
 1.47A 5yj1k-2is7A:
0.0
5yj1t-2is7A:
undetectable		 5yj1k-2is7A:
15.11
5yj1t-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.
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
 1.49A 5yj1k-2wsxA:
undetectable
5yj1t-2wsxA:
undetectable		 5yj1k-2wsxA:
12.84
5yj1t-2wsxA:
12.84
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
 1.45A 5yj1k-2yfkA:
0.0
5yj1t-2yfkA:
0.0		 5yj1k-2yfkA:
14.64
5yj1t-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 TRP A  34
PHE A  29
THR A 115
TRP A  36
 None
 1.18A 5yj1k-3k81A:
undetectable
5yj1t-3k81A:
0.0		 5yj1k-3k81A:
19.12
5yj1t-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 HIS A 174
TRP A 426
THR A 341
TRP A 419
 None
 1.37A 5yj1k-3v1vA:
undetectable
5yj1t-3v1vA:
undetectable		 5yj1k-3v1vA:
13.41
5yj1t-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 HIS A  58
TRP A  70
TRP A  71
THR A  83
 None
 1.33A 5yj1k-3vvlA:
0.0
5yj1t-3vvlA:
undetectable		 5yj1k-3vvlA:
13.80
5yj1t-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)
 0.25A 5yj1k-4ci2B:
17.6
5yj1t-4ci2B:
17.1		 5yj1k-4ci2B:
34.47
5yj1t-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 HIS A 141
TRP A 324
TRP A 147
TRP A 142
 None
NM2  A 601 (-3.8A)
None
None
 1.40A 5yj1k-4m8jA:
undetectable
5yj1t-4m8jA:
undetectable		 5yj1k-4m8jA:
12.10
5yj1t-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.
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 5yj1k-4p5bA:
0.0
5yj1t-4p5bA:
0.0		 5yj1k-4p5bA:
17.96
5yj1t-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 HIS A 129
TRP A 133
PHE A  86
THR A 176
 None
 1.19A 5yj1k-4rd8A:
undetectable
5yj1t-4rd8A:
undetectable		 5yj1k-4rd8A:
19.34
5yj1t-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)
 0.26A 5yj1k-4tzcC:
20.1
5yj1t-4tzcC:
19.7		 5yj1k-4tzcC:
98.17
5yj1t-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 HIS A 181
TRP A 180
PHE A 125
THR A 189
 None
 1.48A 5yj1k-4yo2A:
undetectable
5yj1t-4yo2A:
undetectable		 5yj1k-4yo2A:
17.81
5yj1t-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 HIS A  85
TRP A 338
THR A 255
TRP A 331
 None
 1.46A 5yj1k-4zq8A:
undetectable
5yj1t-4zq8A:
undetectable		 5yj1k-4zq8A:
16.30
5yj1t-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 TRP A  18
PHE A  46
THR A   6
TRP A 262
 None
 1.41A 5yj1k-5gxdA:
undetectable
5yj1t-5gxdA:
undetectable		 5yj1k-5gxdA:
10.67
5yj1t-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
 0.43A 5yj1k-5hxbZ:
10.1
5yj1t-5hxbZ:
9.7		 5yj1k-5hxbZ:
27.62
5yj1t-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 HIS M 440
TRP M 358
PHE h  21
THR M 365
 None
 1.11A 5yj1k-5lc5M:
undetectable
5yj1t-5lc5M:
undetectable		 5yj1k-5lc5M:
12.44
5yj1t-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 HIS A  58
TRP A  26
PHE A  28
THR A  54
 NI  A 201 ( 3.3A)
7BC  A 202 (-3.6A)
None
None
 1.33A 5yj1k-5tfzA:
undetectable
5yj1t-5tfzA:
undetectable		 5yj1k-5tfzA:
20.51
5yj1t-5tfzA:
20.51