SIMILAR PATTERNS OF AMINO ACIDS FOR 4I90_A_ACTA501

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.
1rt8 FIMBRIN

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		4 LEU A 181
LYS A 180
ASP A 182
LYS A 185
 None
 1.31A 4i90A-1rt8A:
0.0		 4i90A-1rt8A:
20.73
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.
2oq2 PHOSPHOADENOSINE
PHOSPHOSULFATE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF01507
(PAPS_reduct) 		4 LEU A 126
LYS A 129
ASP A 130
LYS A 133
 None
 1.48A 4i90A-2oq2A:
0.0		 4i90A-2oq2A:
22.29
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.
2xal INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Arabidopsis
thaliana) 		PF06090
(Ins_P5_2-kin) 		4 LEU A 422
LYS A 425
ASP A 423
HIS A 196
 None
None
None
I6P  A 500 (-4.3A)
 1.43A 4i90A-2xalA:
0.0		 4i90A-2xalA:
20.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF00388
(PI-PLC-X) 		5 LEU A  37
LYS A  38
ASP A  39
LYS A  42
HIS A  86
 ACT  A 401 (-3.8A)
None
None
ACT  A 401 (-2.9A)
ACT  A 401 (-4.0A)
 0.52A 4i90A-4rv3A:
54.5		 4i90A-4rv3A:
99.34
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.
5wru PROBABLE INORGANIC
PYROPHOSPHATASE

(Plasmodium
falciparum) 		no annotation 4 LEU A 116
LYS A 117
ASP A 115
HIS A 304
 None
 1.24A 4i90A-5wruA:
0.0		 4i90A-5wruA:
21.84