SIMILAR PATTERNS OF AMINO ACIDS FOR 4YO9_A_ACTA403_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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		4 TYR A 381
SER A 301
LEU A 401
MET A 429
 None
 1.39A 4yo9A-1lnsA:
0.0
4yo9B-1lnsA:
0.0		 4yo9A-1lnsA:
16.95
4yo9B-1lnsA:
16.95
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.
1oyw ATP-DEPENDENT DNA
HELICASE

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		4 TYR A 410
SER A 471
LEU A 510
GLN A 378
 None
 1.33A 4yo9A-1oywA:
0.0
4yo9B-1oywA:
0.0		 4yo9A-1oywA:
19.73
4yo9B-1oywA:
19.73
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TYR A  12
LEU A  64
MET A 379
GLN A 365
 None
 1.45A 4yo9A-1qhoA:
0.0
4yo9B-1qhoA:
0.0		 4yo9A-1qhoA:
19.48
4yo9B-1qhoA:
19.48
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.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		4 TYR A  89
SER A   8
LEU A 114
GLN A 140
 None
 1.39A 4yo9A-1rzvA:
0.0
4yo9B-1rzvA:
0.0		 4yo9A-1rzvA:
23.27
4yo9B-1rzvA:
23.27
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.
1zy1 PEPTIDE DEFORMYLASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF01327
(Pep_deformylase) 		4 TYR A 163
SER A 113
LEU A 162
GLN A  54
 None
None
None
ZN  A 198 (-3.4A)
 1.31A 4yo9A-1zy1A:
0.0
4yo9B-1zy1A:
0.0		 4yo9A-1zy1A:
19.29
4yo9B-1zy1A:
19.29
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		4 TYR A 443
SER A 454
LEU A  41
GLN A 428
 None
HEA  A 515 ( 4.9A)
None
HEA  A 515 (-3.8A)
 1.31A 4yo9A-2eijA:
undetectable
4yo9B-2eijA:
undetectable		 4yo9A-2eijA:
20.42
4yo9B-2eijA:
20.42
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		4 TYR A 285
LEU A 225
MET A 392
GLN A 162
 None
2A3  A 602 ( 4.6A)
2A3  A 602 (-3.6A)
2A3  A 602 (-3.4A)
 1.40A 4yo9A-3anyA:
0.0
4yo9B-3anyA:
0.0		 4yo9A-3anyA:
21.75
4yo9B-3anyA:
21.75
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.
3hfq UNCHARACTERIZED
PROTEIN LP_2219

(Lactobacillus
plantarum) 		PF10282
(Lactonase) 		4 TYR A 101
SER A 170
LEU A  99
GLN A 174
 None
 1.11A 4yo9A-3hfqA:
0.0
4yo9B-3hfqA:
0.0		 4yo9A-3hfqA:
22.44
4yo9B-3hfqA:
22.44
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 TYR A 244
SER A 330
LEU A 233
MET A 354
 None
 1.32A 4yo9A-3lv4A:
0.0
4yo9B-3lv4A:
0.0		 4yo9A-3lv4A:
22.20
4yo9B-3lv4A:
22.20
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		4 TYR A 486
SER A 497
LEU A  55
GLN A 471
 None
None
None
HEA  A   1 (-4.0A)
 1.32A 4yo9A-3omnA:
0.0
4yo9B-3omnA:
undetectable		 4yo9A-3omnA:
21.84
4yo9B-3omnA:
21.84
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.
3u7i FMN-DEPENDENT
NADH-AZOREDUCTASE 1

(Bacillus
anthracis) 		PF02525
(Flavodoxin_2) 		4 TYR A 179
SER A 163
LEU A 167
GLN A 145
 None
 1.20A 4yo9A-3u7iA:
undetectable
4yo9B-3u7iA:
0.0		 4yo9A-3u7iA:
23.21
4yo9B-3u7iA:
23.21
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.
3vqi ATG5

(Kluyveromyces
marxianus) 		PF04106
(APG5) 		4 TYR A 256
SER A 261
LEU A 266
GLN A 242
 None
 1.47A 4yo9A-3vqiA:
undetectable
4yo9B-3vqiA:
undetectable		 4yo9A-3vqiA:
21.78
4yo9B-3vqiA:
21.78
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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 TYR A 331
SER A 126
LEU A 333
GLN A 387
 None
 1.37A 4yo9A-4aipA:
undetectable
4yo9B-4aipA:
undetectable		 4yo9A-4aipA:
18.83
4yo9B-4aipA:
18.83
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.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 TYR A 240
SER A 330
LEU A 229
MET A 354
 None
 1.24A 4yo9A-4cotA:
undetectable
4yo9B-4cotA:
undetectable		 4yo9A-4cotA:
20.62
4yo9B-4cotA:
20.62
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.
5ft1 GP37

(Pseudomonas
virus phiKZ) 		no annotation 4 TYR A 210
SER A 147
LEU A 143
GLN A 150
 None
 1.40A 4yo9A-5ft1A:
undetectable
4yo9B-5ft1A:
undetectable		 4yo9A-5ft1A:
23.15
4yo9B-5ft1A:
23.15
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 TYR B 194
SER B 163
LEU B 113
GLN B 115
 None
FAD  B 321 (-3.8A)
None
FAD  B 321 (-3.4A)
 1.48A 4yo9A-5g5gB:
undetectable
4yo9B-5g5gB:
undetectable		 4yo9A-5g5gB:
21.24
4yo9B-5g5gB:
21.24
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.
5sy1 STRA6

(Danio rerio) 		PF14752
(RBP_receptor) 		4 TYR A 548
SER A 278
LEU A 275
GLN A 406
 None
 1.36A 4yo9A-5sy1A:
undetectable
4yo9B-5sy1A:
undetectable		 4yo9A-5sy1A:
20.60
4yo9B-5sy1A:
20.60
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.
5xbf UNCONVENTIONAL
MYOSIN-VIIB

(Homo sapiens) 		PF00373
(FERM_M)
PF00784
(MyTH4) 		4 TYR A2049
SER A2018
LEU A2077
GLN A2016
 None
None
None
ACT  A2204 ( 4.7A)
 1.28A 4yo9A-5xbfA:
undetectable
4yo9B-5xbfA:
undetectable		 4yo9A-5xbfA:
19.81
4yo9B-5xbfA:
19.81