SIMILAR PATTERNS OF AMINO ACIDS FOR 1AQU_A_ESTA304_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.
1bo6 ESTROGEN
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		10 ARG A  23
TYR A  81
CYH A  84
ASN A  86
LYS A 106
HIS A 108
PHE A 142
SER A 148
TYR A 149
MET A 247
 None
VO4  A 302 ( 4.9A)
None
None
VO4  A 302 (-3.0A)
VO4  A 302 (-3.9A)
VO4  A 302 ( 4.6A)
None
None
None
 0.49A 1aquA-1bo6A:
45.2
1aquB-1bo6A:
44.5		 1aquA-1bo6A:
100.00
1aquB-1bo6A:
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.
1lrz FACTOR ESSENTIAL FOR
EXPRESSION OF
METHICILLIN
RESISTANCE

(Staphylococcus
aureus) 		PF02388
(FemAB) 		5 TYR A 393
ASN A 128
HIS A 158
PHE A 323
GLU A  81
 None
 1.28A 1aquA-1lrzA:
0.0
1aquB-1lrzA:
0.0		 1aquA-1lrzA:
22.93
1aquB-1lrzA:
22.93
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1
COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2

(Daboia
siamensis) 		PF00059
(Lectin_C) 		5 TYR B 123
HIS B  65
SER C 110
TYR C  97
GLU B  98
 None
 1.31A 1aquA-2e3xB:
0.0
1aquB-2e3xB:
0.0		 1aquA-2e3xB:
18.60
1aquB-2e3xB:
18.60
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 CYH A 130
HIS A 138
SER A 376
TYR A 378
GLU A 374
 FAD  A 801 (-1.7A)
FAD  A 801 (-3.6A)
None
AKY  A 601 (-4.5A)
AKY  A 601 ( 4.6A)
 1.46A 1aquA-2ipiA:
0.0
1aquB-2ipiA:
0.0		 1aquA-2ipiA:
18.30
1aquB-2ipiA:
18.30
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.
3fk2 GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1

(Homo sapiens) 		PF00620
(RhoGAP) 		5 CYH A1268
HIS A1378
PHE A1400
SER A1326
GLU A1327
 None
 1.49A 1aquA-3fk2A:
0.0
1aquB-3fk2A:
0.0		 1aquA-3fk2A:
23.00
1aquB-3fk2A:
23.00