SIMILAR PATTERNS OF AMINO ACIDS FOR 1K1Y_A_ACRA660_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		11 HIS A  11
GLU A 123
ARG A 124
PHE A 187
ASP A 213
ASP A 214
LYS A 217
TYR A 272
GLU A 274
TRP A 278
TRP A 357
 None
 0.52A 1k1yA-1k1xA:
56.9		 1k1yA-1k1xA:
100.00
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.
1ta3 ENDO-1,4-BETA-XYLANA
SE
XYLANASE INHIBITOR
PROTEIN I

(Aspergillus
nidulans;
Triticum
aestivum) 		PF00331
(Glyco_hydro_10)
PF00704
(Glyco_hydro_18) 		5 TYR B 178
ASP B 174
TYR B 171
GLU B 132
TRP A 230
 None
 1.27A 1k1yA-1ta3B:
4.7		 1k1yA-1ta3B:
18.12
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.
2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1

(Sulfolobus
solfataricus) 		PF03070
(TENA_THI-4) 		5 HIS A  88
TYR A 114
ASP A  47
TYR A 140
GLU A 198
 None
IMD  A 214 ( 4.9A)
GOL  A 215 ( 3.1A)
GOL  A 215 ( 3.5A)
IMD  A 214 (-2.7A)
 1.48A 1k1yA-2qzcA:
0.5		 1k1yA-2qzcA:
17.40