SIMILAR PATTERNS OF AMINO ACIDS FOR 2AOU_B_CQAB400_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) 		5 GLN A  94
TYR A 146
VAL A 173
TRP A 183
PHE A  22
 SAH  A 400 (-3.8A)
QUN  A 500 (-3.3A)
None
QUN  A 500 (-4.9A)
None
 1.42A 2aouB-1jqeA:
42.9		 2aouB-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 183
CYH A 196
PHE A 243
GLU A 246
 None
SAH  A 400 (-3.8A)
None
QUN  A 500 (-3.3A)
None
QUN  A 500 (-4.9A)
QUN  A 500 (-3.6A)
QUN  A 500 (-4.1A)
QUN  A 500 (-3.9A)
 0.87A 2aouB-1jqeA:
42.9		 2aouB-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) 		10 GLU A  28
SER A  91
GLN A  94
GLN A 143
TYR A 146
TYR A 147
VAL A 173
TRP A 183
CYH A 196
PHE A 243
 None
SAH  A 400 (-4.7A)
SAH  A 400 (-3.8A)
None
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
None
QUN  A 500 (-4.9A)
QUN  A 500 (-3.6A)
QUN  A 500 (-4.1A)
 0.64A 2aouB-1jqeA:
42.9		 2aouB-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.
2b5i INTERLEUKIN-2
RECEPTOR BETA CHAIN
CYTOKINE RECEPTOR
COMMON GAMMA CHAIN

(Homo sapiens;
Homo sapiens) 		no annotation
PF00041
(fn3)
PF09240
(IL6Ra-bind) 		5 SER C 146
GLN C 147
GLN B 162
VAL C 180
TRP C 152
 None
 1.37A 2aouB-2b5iC:
0.0		 2aouB-2b5iC:
19.93
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		5 GLU A 130
SER A  81
GLN A  91
TYR A 148
GLU A 140
 None
 1.38A 2aouB-2qw8A:
2.5		 2aouB-2qw8A:
22.81
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.
3c1o EUGENOL SYNTHASE

(Clarkia breweri) 		PF05368
(NmrA) 		5 GLU A 129
SER A  80
GLN A  90
TYR A 147
GLU A 139
 None
 1.41A 2aouB-3c1oA:
2.3		 2aouB-3c1oA:
21.89
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.
4zch TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B

(Homo sapiens) 		PF00229
(TNF) 		5 SER A 102
GLN A  60
TYR A 254
VAL A 108
PHE A 353
 None
 1.37A 2aouB-4zchA:
0.0		 2aouB-4zchA:
21.67