SIMILAR PATTERNS OF AMINO ACIDS FOR 2DYS_O_CHDO302

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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.17A 2dysG-1k5sB:
0.0
2dysN-1k5sB:
2.9
2dysO-1k5sB:
0.0		 2dysG-1k5sB:
12.50
2dysN-1k5sB:
20.53
2dysO-1k5sB:
17.45
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 ARG A 230
PHE A 224
GLY A 222
MET A 179
GLU A 170
 None
 1.42A 2dysG-3bt7A:
0.0
2dysN-3bt7A:
0.0
2dysO-3bt7A:
0.0		 2dysG-3bt7A:
13.92
2dysN-3bt7A:
20.94
2dysO-3bt7A:
20.40
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.38A 2dysG-4qdgA:
0.0
2dysN-4qdgA:
undetectable
2dysO-4qdgA:
0.0		 2dysG-4qdgA:
13.97
2dysN-4qdgA:
20.49
2dysO-4qdgA:
23.20