SIMILAR PATTERNS OF AMINO ACIDS FOR 4AFT_B_QMRB301_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
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		5 TYR A 338
VAL A 140
TYR A 292
VAL A 148
ILE A 122
 None
 1.49A 4aftB-2rdyA:
0.2
4aftC-2rdyA:
0.3		 4aftB-2rdyA:
14.68
4aftC-2rdyA:
14.68
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.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		5 TYR A  41
VAL A 130
TYR A  34
VAL A 139
ILE A   6
 None
 0.94A 4aftB-3pl1A:
0.0
4aftC-3pl1A:
0.0		 4aftB-3pl1A:
21.37
4aftC-3pl1A:
21.37
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 TYR A 248
VAL A 191
CYH A 308
VAL A 166
MET A 170
 None
None
GST  A 511 (-3.4A)
None
None
 1.31A 4aftB-3v1vA:
undetectable
4aftC-3v1vA:
undetectable		 4aftB-3v1vA:
18.08
4aftC-3v1vA:
18.08
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 TYR A 119
VAL A 178
TYR A 163
VAL A 187
ILE A 123
 None
 1.44A 4aftB-4gvlA:
0.0
4aftC-4gvlA:
0.0		 4aftB-4gvlA:
16.59
4aftC-4gvlA:
16.59
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 435
TYR A 370
VAL A 547
MET A 586
ILE A 424
 None
 1.18A 4aftB-5lewA:
0.0
4aftC-5lewA:
0.0		 4aftB-5lewA:
13.04
4aftC-5lewA:
13.04