SIMILAR PATTERNS OF AMINO ACIDS FOR 3N2O_A_AG2A1002

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.
2hsm GLUTAMYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		no annotation 5 TRP A  96
ASP A 139
SER A 136
GLY A 132
LEU A 119
 None
 1.30A 3n2oA-2hsmA:
2.6
3n2oB-2hsmA:
2.5		 3n2oA-2hsmA:
15.54
3n2oB-2hsmA:
15.54
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.
2nv9 A207R PROTEIN,
ARGININE
DECARBOXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 LYS A  48
HIS A 176
GLY A 178
SER A 179
LEU A 357
 PLP  A2001 (-2.1A)
PLP  A2001 (-4.1A)
None
PLP  A2001 (-2.6A)
None
 0.85A 3n2oA-2nv9A:
13.2
3n2oB-2nv9A:
9.5		 3n2oA-2nv9A:
21.99
3n2oB-2nv9A:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 HIS A 233
GLY A 235
SER A 236
ASP A 452
LEU A 523
 PLP  A 701 (-3.6A)
None
PLP  A 701 (-2.9A)
None
None
 0.36A 3n2oA-3nzpA:
38.2
3n2oB-3nzpA:
38.2		 3n2oA-3nzpA:
35.82
3n2oB-3nzpA:
35.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 LYS A  86
HIS A 233
GLY A 235
ASP A 452
LEU A 523
 PLP  A 701 (-3.1A)
PLP  A 701 (-3.6A)
None
None
None
 0.80A 3n2oA-3nzpA:
38.2
3n2oB-3nzpA:
38.2		 3n2oA-3nzpA:
35.82
3n2oB-3nzpA:
35.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		6 LYS A 127
HIS A 272
GLY A 274
SER A 275
ASP A 497
LEU A 572
 None
None
None
SO4  A 701 (-2.6A)
None
None
 0.98A 3n2oA-3nzqA:
43.2
3n2oB-3nzqA:
43.4		 3n2oA-3nzqA:
53.68
3n2oB-3nzqA:
53.68
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.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		5 SER A 198
GLY A  66
SER A  69
ASP A  78
LEU A  13
 None
 1.46A 3n2oA-4inzA:
2.0
3n2oB-4inzA:
1.1		 3n2oA-4inzA:
19.91
3n2oB-4inzA:
19.91
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.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		5 SER A 213
HIS A  62
GLY A  30
ASP A 236
LEU A 193
 SO4  A 400 (-2.5A)
SO4  A 400 (-4.5A)
SO4  A 400 (-3.3A)
ADE  A 401 (-3.0A)
ADE  A 401 (-4.5A)
 1.05A 3n2oA-4m1eA:
0.3
3n2oB-4m1eA:
0.2		 3n2oA-4m1eA:
18.04
3n2oB-4m1eA:
18.04