SIMILAR PATTERNS OF AMINO ACIDS FOR 2HTQ_A_ZMRA472_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
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		4 ASP A 204
TRP A 224
ILE A 248
ARG A 203
 None
 1.36A 2htqA-1lgyA:
undetectable		 2htqA-1lgyA:
22.14
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 ASP N 151
TRP N 178
ILE N 222
ARG N 224
 None
 0.79A 2htqA-1nmbN:
61.5		 2htqA-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 ASP A 157
TRP A 185
ILE A 229
ARG A 231
 None
 0.40A 2htqA-1v0zA:
62.9		 2htqA-1v0zA:
46.70
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 ASP A 149
TRP A 177
ILE A 221
ARG A 223
 IBA  A   1 (-3.6A)
None
IBA  A   1 ( 4.3A)
IBA  A   1 ( 4.5A)
 0.54A 2htqA-1vcjA:
52.2		 2htqA-1vcjA:
35.14
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.
1vdk FUMARATE HYDRATASE
CLASS II

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ASP A 294
TRP A 297
ILE A 306
ARG A 186
 None
 1.48A 2htqA-1vdkA:
undetectable		 2htqA-1vdkA:
19.67
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 ASP A 152
TRP A 180
ILE A 224
ARG A 226
 ABW  A1000 (-3.7A)
None
ABW  A1000 ( 4.7A)
None
 0.42A 2htqA-1xogA:
62.7		 2htqA-1xogA:
43.33
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.
2fus FUMARASE C

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ASP A 294
TRP A 297
ILE A 306
ARG A 186
 None
 1.39A 2htqA-2fusA:
undetectable		 2htqA-2fusA:
21.43
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		4 ASP A 386
TRP A 342
ILE A 388
ARG A 391
 None
 1.45A 2htqA-2pyxA:
undetectable		 2htqA-2pyxA:
22.12
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 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 ZMR  A 469 (-3.5A)
None
None
ZMR  A 469 (-4.4A)
 0.36A 2htqA-3ckzA:
67.4		 2htqA-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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 370
TRP A  37
ILE A   9
ARG A 375
 None
 1.28A 2htqA-3rcyA:
undetectable		 2htqA-3rcyA:
18.88
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 370
TRP A  37
ILE A   9
ARG A 375
 None
 1.32A 2htqA-3t4wA:
undetectable		 2htqA-3t4wA:
20.48
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 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 LNV  A 901 (-3.4A)
None
None
LNV  A 901 (-4.1A)
 0.30A 2htqA-3ti8A:
71.8		 2htqA-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 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 LNV  A 801 (-3.4A)
None
None
LNV  A 801 (-4.2A)
 0.33A 2htqA-3tiaA:
62.8		 2htqA-3tiaA:
41.85
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 ASP A 148
TRP A 176
ILE A 220
ARG A 222
 ZMR  A 700 (-3.3A)
None
None
ZMR  A 700 (-3.8A)
 0.43A 2htqA-4cpnA:
52.7		 2htqA-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 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 SLB  A 512 (-3.5A)
None
None
SLB  A 512 (-4.2A)
 0.37A 2htqA-4h53A:
63.1		 2htqA-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 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 G39  A 509 (-3.6A)
None
G39  A 509 ( 4.1A)
G39  A 509 (-4.7A)
 0.37A 2htqA-4hzzA:
62.3		 2htqA-4hzzA:
45.98
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.
4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE

(Streptococcus
pneumoniae) 		PF00232
(Glyco_hydro_1) 		4 ASP B 141
TRP B 139
ILE B 145
ARG B 142
 None
 1.39A 2htqA-4ipnB:
undetectable		 2htqA-4ipnB:
21.61
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.
4l3w LIPASE

(Rhizopus
microsporus) 		PF01764
(Lipase_3) 		4 ASP A 231
TRP A 251
ILE A 275
ARG A 230
 None
None
None
EDO  A 305 (-4.0A)
 1.36A 2htqA-4l3wA:
undetectable		 2htqA-4l3wA:
22.72
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 ASP A  69
TRP A  97
ILE A 141
ARG A 143
 None
 0.47A 2htqA-4qn3A:
62.6		 2htqA-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.
5j98 VP2
VP3

(Slow bee
paralysis virus) 		PF00073
(Rhv) 		4 ASP C  46
TRP B  38
ILE C  48
ARG C  44
 None
 1.07A 2htqA-5j98C:
undetectable		 2htqA-5j98C:
21.37
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 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 E3M  A 511 (-2.9A)
None
E3M  A 511 ( 4.3A)
E3M  A 511 (-3.8A)
 0.38A 2htqA-6br6A:
63.2		 2htqA-6br6A:
13.60