SIMILAR PATTERNS OF AMINO ACIDS FOR 3TIC_B_ZMRB1002_2

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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG N 152
ARG N 156
TRP N 178
ILE N 222
 None
 0.31A 3ticB-1nmbN:
63.9		 3ticB-1nmbN:
47.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 158
ARG A 162
TRP A 185
ILE A 229
 None
 0.20A 3ticB-1v0zA:
64.9		 3ticB-1v0zA:
43.86
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.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		4 ARG A 150
ARG A 154
TRP A 177
ILE A 221
 IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
None
IBA  A   1 ( 4.3A)
 0.40A 3ticB-1vcjA:
54.1		 3ticB-1vcjA:
28.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 153
ARG A 157
TRP A 180
ILE A 224
 ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.7A)
 0.42A 3ticB-1xogA:
64.0		 3ticB-1xogA:
41.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 152
ARG A 156
TRP A 178
ILE A 222
 None
 0.35A 3ticB-2htvA:
62.5		 3ticB-2htvA:
41.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 152
ARG A 156
TRP A 178
ILE A 222
 ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
None
None
 0.69A 3ticB-3ckzA:
64.0		 3ticB-3ckzA:
41.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 152
ARG A 156
TRP A 178
ILE A 222
 LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
None
None
 0.08A 3ticB-3ti8A:
65.2		 3ticB-3ti8A:
39.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 152
ARG A 156
TRP A 178
ILE A 222
 LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
None
None
 0.04A 3ticB-3tiaA:
76.4		 3ticB-3tiaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		4 ARG A 149
ARG A 153
TRP A 176
ILE A 220
 ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
None
None
 0.10A 3ticB-4cpnA:
55.1		 3ticB-4cpnA:
30.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 152
ARG A 156
TRP A 178
ILE A 222
 SLB  A 512 (-3.8A)
None
None
None
 0.08A 3ticB-4h53A:
76.4		 3ticB-4h53A:
99.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 152
ARG A 156
TRP A 178
ILE A 222
 G39  A 509 (-3.9A)
None
None
G39  A 509 ( 4.1A)
 0.11A 3ticB-4hzzA:
64.6		 3ticB-4hzzA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 152
ARG A 156
TRP A 178
ILE A 222
 27S  A 501 (-4.2A)
None
None
27S  A 501 ( 4.6A)
 0.62A 3ticB-4mjuA:
62.7		 3ticB-4mjuA:
42.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A  70
ARG A  74
TRP A  97
ILE A 141
 None
 0.24A 3ticB-4qn3A:
64.4		 3ticB-4qn3A:
43.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 4 ARG A 152
ARG A 156
TRP A 178
ILE A 222
 E3M  A 511 (-3.8A)
None
None
E3M  A 511 ( 4.3A)
 0.09A 3ticB-6br6A:
74.6		 3ticB-6br6A:
90.00