SIMILAR PATTERNS OF AMINO ACIDS FOR 2AOU_A_CQAA402_0

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.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		9 GLU A  28
GLN A  94
GLN A 143
TYR A 146
TYR A 147
VAL A 173
TRP A 179
TRP A 183
CYH A 196
 None
SAH  A 400 (-3.8A)
None
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
None
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
QUN  A 500 (-3.6A)
 0.51A 2aouA-1jqeA:
42.2		 2aouA-1jqeA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		9 GLU A  28
GLN A  94
GLN A 143
TYR A 146
VAL A 173
TRP A 179
TRP A 183
CYH A 196
GLU A 246
 None
SAH  A 400 (-3.8A)
None
QUN  A 500 (-3.3A)
None
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
QUN  A 500 (-3.6A)
QUN  A 500 (-3.9A)
 0.86A 2aouA-1jqeA:
42.2		 2aouA-1jqeA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		8 PHE A  19
GLN A  94
TYR A 146
TYR A 147
VAL A 173
TRP A 179
TRP A 183
CYH A 196
 SAH  A 400 (-3.9A)
SAH  A 400 (-3.8A)
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
None
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
QUN  A 500 (-3.6A)
 0.78A 2aouA-1jqeA:
42.2		 2aouA-1jqeA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		8 PHE A  19
GLN A  94
TYR A 146
VAL A 173
TRP A 179
TRP A 183
CYH A 196
GLU A 246
 SAH  A 400 (-3.9A)
SAH  A 400 (-3.8A)
QUN  A 500 (-3.3A)
None
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
QUN  A 500 (-3.6A)
QUN  A 500 (-3.9A)
 1.07A 2aouA-1jqeA:
42.2		 2aouA-1jqeA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 PHE A  22
GLN A 143
TYR A 146
CYH A 196
GLU A 246
 None
None
QUN  A 500 (-3.3A)
QUN  A 500 (-3.6A)
QUN  A 500 (-3.9A)
 1.37A 2aouA-1jqeA:
42.2		 2aouA-1jqeA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 PHE A  22
GLN A 143
TYR A 146
TYR A 147
CYH A 196
 None
None
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
QUN  A 500 (-3.6A)
 1.43A 2aouA-1jqeA:
42.2		 2aouA-1jqeA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 PHE A  22
GLN A 143
TYR A 146
VAL A 172
CYH A 196
 None
None
QUN  A 500 (-3.3A)
None
QUN  A 500 (-3.6A)
 1.45A 2aouA-1jqeA:
42.2		 2aouA-1jqeA:
99.66
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.
4hd1 SQUALENE SYNTHASE
HPNC

(Alicyclobacillus
acidocaldarius) 		PF00494
(SQS_PSY) 		5 PHE A 144
GLN A 238
TYR A 242
VAL A  29
CYH A 159
 None
 1.14A 2aouA-4hd1A:
0.0		 2aouA-4hd1A:
19.33