SIMILAR PATTERNS OF AMINO ACIDS FOR 3TOU_A_ACTA228

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.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 ALA A  64
ARG A 249
TYR A  68
ARG A  67
 None
 1.39A 3touA-2gjxA:
0.0		 3touA-2gjxA:
18.00
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens;
Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2)
no annotation 		4 ALA A  64
ARG I 249
TYR A  68
ARG A  67
 None
 1.31A 3touA-2gk1A:
undetectable		 3touA-2gk1A:
11.59
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.
3tj8 UREASE ACCESSORY
PROTEIN UREE

(Helicobacter
pylori) 		PF02814
(UreE_N)
PF05194
(UreE_C) 		4 ALA A 104
ARG A  31
TYR A 106
ARG A 145
 None
 1.49A 3touA-3tj8A:
0.0		 3touA-3tj8A:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tot GLUTATHIONE
S-TRANSFERASE
PROTEIN

(Ralstonia
solanacearum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ALA A  10
ARG A 110
TYR A 168
ARG A 172
 ACT  A 227 (-3.5A)
ACT  A 227 (-4.7A)
ACT  A 227 (-4.5A)
ACT  A 227 (-3.9A)
 0.04A 3touA-3totA:
38.7		 3touA-3totA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4id0 GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF

(Pseudomonas
fluorescens) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ALA A   8
ARG A 112
TYR A 167
ARG A 171
 ACT  A 303 ( 3.9A)
None
ACT  A 303 (-4.5A)
ACT  A 303 (-4.0A)
 0.81A 3touA-4id0A:
27.7		 3touA-4id0A:
42.34
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 ALA A 265
ARG A 497
TYR A 117
ARG A 426
 None
 1.36A 3touA-5kqiA:
0.0		 3touA-5kqiA:
15.84
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 ALA A1390
ARG A 576
TYR A1356
ARG A1354
 None
 1.32A 3touA-5n8oA:
0.0		 3touA-5n8oA:
8.74
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.
6ama PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
venezuelae) 		no annotation 4 ALA A  32
ARG A  41
TYR A  49
ARG A  47
 None
 1.38A 3touA-6amaA:
0.0		 3touA-6amaA:
undetectable