SIMILAR PATTERNS OF AMINO ACIDS FOR 1QLT_B_ACTB601_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.
1cmx PROTEIN (UBIQUITIN
YUH1-UBAL)

(Saccharomyces
cerevisiae) 		PF01088
(Peptidase_C12) 		4 TYR A 214
ILE A 168
TYR A 170
ARG A 210
 None
 1.42A 1qltB-1cmxA:
0.0		 1qltB-1cmxA:
16.85
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.
1gnw GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 TYR A  78
ILE A   3
TYR A  73
ARG A  77
 None
 1.21A 1qltB-1gnwA:
1.1		 1qltB-1gnwA:
17.00
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.
1gze MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 TYR A 134
ILE A 239
TYR A 223
ARG A 167
 None
 1.41A 1qltB-1gzeA:
0.0		 1qltB-1gzeA:
18.25
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TYR A  65
PHE A 381
ILE A 378
TYR A  18
 None
 1.44A 1qltB-1kclA:
0.0		 1qltB-1kclA:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 TYR A 108
PHE A 424
ILE A 468
TYR A 503
ARG A 504
 EUG  A1562 (-4.5A)
EUG  A1562 ( 3.7A)
EUG  A1562 (-4.0A)
EUG  A1562 (-4.9A)
FAD  A1561 ( 3.4A)
 0.16A 1qltB-1w1kA:
62.5		 1qltB-1w1kA:
99.46
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		4 TYR A 744
PHE A 750
ILE A 629
TYR A 587
 None
 1.50A 1qltB-1ygpA:
0.0		 1qltB-1ygpA:
21.88
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.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 PHE A 579
ILE A 398
TYR A 450
ARG A 550
 None
 0.86A 1qltB-1z68A:
0.0		 1qltB-1z68A:
22.16
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.
2bov MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 TYR B1134
ILE B1239
TYR B1223
ARG B1167
 None
 1.48A 1qltB-2bovB:
0.1		 1qltB-2bovB:
19.49
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.
2fe0 SMALL MYRISTOYLATED
PROTEIN 1

(Leishmania
major) 		PF09149
(DUF1935) 		4 TYR A  50
PHE A 101
ILE A 102
ARG A  39
 None
 1.22A 1qltB-2fe0A:
0.0		 1qltB-2fe0A:
13.91
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		4 TYR A 219
PHE A 217
ILE A 185
TYR A 243
 None
 1.49A 1qltB-2o5pA:
undetectable		 1qltB-2o5pA:
21.71
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 TYR A 127
PHE A  79
ILE A  76
TYR A  69
 None
 1.42A 1qltB-2wzsA:
0.0		 1qltB-2wzsA:
22.37
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 TYR A 755
PHE A 780
ILE A 795
ARG A 754
 EDO  A 836 ( 4.7A)
EDO  A 836 ( 3.9A)
None
None
 1.48A 1qltB-3ahiA:
2.4		 1qltB-3ahiA:
22.08
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.
3f40 UNCHARACTERIZED
NTF2-LIKE PROTEIN

(Cytophaga
hutchinsonii) 		PF12680
(SnoaL_2) 		4 TYR A  91
PHE A  14
ILE A  15
TYR A  76
 None
 1.39A 1qltB-3f40A:
undetectable		 1qltB-3f40A:
9.52
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.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		4 TYR A   4
PHE A  47
TYR A  88
ARG A   2
 None
 1.28A 1qltB-3n4tA:
undetectable		 1qltB-3n4tA:
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		4 TYR A 254
PHE A 251
TYR A 126
ARG A 125
 None
 1.43A 1qltB-3nztA:
undetectable		 1qltB-3nztA:
22.11
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 336
ILE A 338
TYR A 282
ARG A 309
 None
 1.41A 1qltB-3thuA:
undetectable		 1qltB-3thuA:
21.93
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.
3vnx FERRITIN

(Ulva pertusa) 		PF00210
(Ferritin) 		4 TYR A  36
ILE A  44
TYR A  96
ARG A 100
 None
 1.20A 1qltB-3vnxA:
0.7		 1qltB-3vnxA:
18.16
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		4 PHE A 243
ILE A 244
TYR A  47
ARG A  49
 None
 1.31A 1qltB-4binA:
0.3		 1qltB-4binA:
20.98
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.
4lqx TENA/THI-4
DOMAIN-CONTAINING
PROTEIN

(Sulfolobus
solfataricus) 		PF03070
(TENA_THI-4)
PF16293
(zf-C2H2_9) 		4 TYR A 282
PHE A 107
TYR A 100
ARG A 286
 None
UNL  A 402 ( 4.2A)
UNL  A 402 ( 4.5A)
UNL  A 402 ( 3.1A)
 1.27A 1qltB-4lqxA:
0.5		 1qltB-4lqxA:
19.82
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.
4qan HYPOTHETICAL PROTEIN

([Ruminococcus]
gnavus) 		no annotation 4 TYR A 370
PHE A 258
ILE A 259
TYR A 359
 None
 1.32A 1qltB-4qanA:
undetectable		 1qltB-4qanA:
21.65
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.
4uu9 MEDI7814
MEDI7814

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		4 TYR B  36
PHE B  98
ILE B  96
TYR A 100
 None
 1.33A 1qltB-4uu9B:
undetectable		 1qltB-4uu9B:
11.02
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 TYR A1172
PHE A1175
ILE A1158
TYR A1196
 None
 1.38A 1qltB-5a31A:
undetectable		 1qltB-5a31A:
17.90
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.
5e4i CONTACTIN-5

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 TYR A 170
PHE A 156
ILE A 158
ARG A 136
 None
None
None
NAG  A 501 (-3.8A)
 1.30A 1qltB-5e4iA:
undetectable		 1qltB-5e4iA:
21.73
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.
5odv COAT PROTEIN

(Watermelon
mosaic virus) 		PF00767
(Poty_coat) 		4 TYR A 195
ILE A 135
TYR A 185
ARG A 189
 None
 1.12A 1qltB-5odvA:
undetectable		 1qltB-5odvA:
18.92
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.
6cpb CARBON MONOXIDE
OXIDATION SYSTEM
TRANSCRIPTION
REGULATOR COOA-1

(Carboxydothermus
hydrogenoformans) 		no annotation 4 TYR A  60
PHE A  86
ILE A  38
ARG A  58
 None
 1.39A 1qltB-6cpbA:
undetectable		 1qltB-6cpbA:
undetectable