SIMILAR PATTERNS OF AMINO ACIDS FOR 2HTU_A_BCZA801_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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG N 118
ASP N 151
GLU N 227
ARG N 371
 None
 0.81A 2htuA-1nmbN:
62.1		 2htuA-1nmbN:
37.72
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 124
ASP A 157
GLU A 234
ARG A 378
 None
 0.37A 2htuA-1v0zA:
63.7		 2htuA-1v0zA:
46.70
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.
1v33 DNA PRIMASE SMALL
SUBUNIT

(Pyrococcus
horikoshii) 		PF01896
(DNA_primase_S) 		4 ARG A  11
ASP A  40
GLU A   5
ARG A   8
 None
 1.24A 2htuA-1v33A:
undetectable		 2htuA-1v33A:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		4 ARG A 116
ASP A 149
GLU A 226
ARG A 374
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.6A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.2A)
 0.52A 2htuA-1vcjA:
53.1		 2htuA-1vcjA:
35.14
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 119
ASP A 152
GLU A 229
ARG A 372
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-2.8A)
 0.40A 2htuA-1xogA:
63.2		 2htuA-1xogA:
43.33
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 118
ASP A 151
GLU A 227
ARG A 371
 None
 0.67A 2htuA-2htvA:
67.1		 2htuA-2htvA:
59.44
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 118
ASP A 151
GLU A 227
ARG A 371
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.9A)
 0.29A 2htuA-3ckzA:
68.4		 2htuA-3ckzA:
56.33
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		4 ARG A 260
ASP A 290
GLU A 187
ARG A 220
 None
None
UNX  A 606 ( 2.6A)
None
 1.44A 2htuA-3t8lA:
undetectable		 2htuA-3t8lA:
21.60
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 118
ASP A 151
GLU A 227
ARG A 371
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.4A)
LNV  A 901 (-3.4A)
LNV  A 901 (-2.9A)
 0.29A 2htuA-3ti8A:
73.3		 2htuA-3ti8A:
69.62
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 118
ASP A 151
GLU A 227
ARG A 371
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.4A)
LNV  A 801 (-3.5A)
LNV  A 801 (-2.9A)
 0.34A 2htuA-3tiaA:
63.7		 2htuA-3tiaA:
41.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 118
ASP A 151
GLU A 228
ARG A 368
 G39  A1470 (-3.1A)
G39  A1470 (-3.7A)
None
G39  A1470 (-3.0A)
 0.33A 2htuA-4b7jA:
68.4		 2htuA-4b7jA:
53.00
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		4 ARG A 655
ASP A 598
GLU A 652
ARG A 548
 SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 (-3.4A)
 1.42A 2htuA-4ckbA:
undetectable		 2htuA-4ckbA:
17.08
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 115
ASP A 148
GLU A 225
ARG A 373
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.3A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.0A)
 0.22A 2htuA-4cpnA:
53.2		 2htuA-4cpnA:
31.81
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 118
ASP A 151
GLU A 227
ARG A 371
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
None
SLB  A 512 (-2.9A)
 0.40A 2htuA-4h53A:
64.0		 2htuA-4h53A:
47.84
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 118
ASP A 151
GLU A 227
ARG A 371
 G39  A 509 (-3.0A)
G39  A 509 (-3.6A)
None
G39  A 509 (-2.9A)
 0.28A 2htuA-4hzzA:
63.3		 2htuA-4hzzA:
45.98
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 118
ASP A 151
GLU A 227
ARG A 371
 27S  A 501 (-3.0A)
27S  A 501 (-3.2A)
27S  A 501 (-3.3A)
27S  A 501 (-3.1A)
 0.78A 2htuA-4mjuA:
73.7		 2htuA-4mjuA:
98.71
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  36
ASP A  69
GLU A 146
ARG A 290
 None
 0.42A 2htuA-4qn3A:
63.3		 2htuA-4qn3A:
44.64
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 4 ARG A 118
ASP A 151
GLU A 227
ARG A 371
 E3M  A 511 (-3.0A)
E3M  A 511 (-2.9A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-2.9A)
 0.47A 2htuA-6br6A:
64.0		 2htuA-6br6A:
undetectable
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A 159
ASP A 166
GLU A  45
ARG A 404
 None
 1.37A 2htuA-6c26A:
undetectable		 2htuA-6c26A:
undetectable