SIMILAR PATTERNS OF AMINO ACIDS FOR 6HCX_A_ZMRA519_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
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.
1eqn DNA PRIMASE

(Escherichia
coli) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2) 		5 ARG A 260
GLU A 363
ARG A 336
ARG A 361
GLU A 353
 None
 1.29A 6hcxA-1eqnA:
undetectable		 6hcxA-1eqnA:
15.22
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.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 GLU A 253
ARG A 213
GLU A 252
ALA A 278
GLU A 255
 None
 1.42A 6hcxA-1ixkA:
undetectable		 6hcxA-1ixkA:
15.00
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  36
ASP A  60
ARG A 246
ARG A 315
TYR A 343
 None
 0.66A 6hcxA-1mz5A:
20.2		 6hcxA-1mz5A:
8.50
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) 		12 ARG N 118
GLU N 119
ASP N 151
ARG N 152
ARG N 156
ARG N 224
GLU N 227
ALA N 246
GLU N 276
ARG N 292
ARG N 371
TYR N 406
 None
 0.74A 6hcxA-1nmbN:
73.2		 6hcxA-1nmbN:
97.50
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) 		12 ARG A 124
GLU A 125
ASP A 157
ARG A 158
ARG A 162
ARG A 231
GLU A 234
ALA A 253
GLU A 283
ARG A 299
ARG A 378
TYR A 412
 None
 0.45A 6hcxA-1v0zA:
19.6		 6hcxA-1v0zA:
73.75
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) 		11 ARG A 116
GLU A 117
ASP A 149
ARG A 150
ARG A 154
ARG A 223
GLU A 226
ALA A 245
ARG A 292
ARG A 374
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.6A)
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 (-3.2A)
None
 0.68A 6hcxA-1vcjA:
53.7		 6hcxA-1vcjA:
11.40
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) 		8 ARG A 116
GLU A 117
ASP A 149
ARG A 150
ARG A 223
GLU A 275
ARG A 374
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.6A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.2A)
None
 1.26A 6hcxA-1vcjA:
53.7		 6hcxA-1vcjA:
11.40
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) 		11 ARG A 119
GLU A 120
ASP A 152
ARG A 153
ARG A 157
ARG A 226
GLU A 229
ALA A 248
ARG A 294
ARG A 372
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.47A 6hcxA-1xogA:
74.9		 6hcxA-1xogA:
100.00
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) 		11 GLU A 120
ASP A 152
ARG A 153
ARG A 157
ARG A 226
GLU A 229
ALA A 248
GLU A 278
ARG A 294
ARG A 372
TYR A 406
 ABW  A1000 (-3.7A)
ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.63A 6hcxA-1xogA:
74.9		 6hcxA-1xogA:
100.00
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 ARG A 266
ASP A 291
ARG A 555
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 (-2.8A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.53A 6hcxA-2bf6A:
21.2		 6hcxA-2bf6A:
10.47
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 ARG A 118
ARG A 152
ARG A 156
ARG A 224
GLU A 227
GLU A 276
ARG A 292
ARG A 371
TYR A 406
 None
 0.60A 6hcxA-2htvA:
62.9		 6hcxA-2htvA:
10.05
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		8 ARG A 118
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ARG A 292
ARG A 371
TYR A 406
 None
 0.77A 6hcxA-2htvA:
62.9		 6hcxA-2htvA:
10.05
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 GLU A 119
ARG A 152
ARG A 156
ARG A 224
GLU A 276
ARG A 292
TYR A 406
 None
 1.15A 6hcxA-2htvA:
62.9		 6hcxA-2htvA:
10.05
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor) 		PF02668
(TauD) 		5 ARG A 257
ARG A 251
GLU A 250
ALA A 205
GLU A 207
 None
 1.42A 6hcxA-2og7A:
undetectable		 6hcxA-2og7A:
10.31
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ARG B 383
GLU B 266
GLU B   6
ARG B 244
TYR B 262
 None
 1.41A 6hcxA-2rhqB:
undetectable		 6hcxA-2rhqB:
8.19
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ARG A 347
ASP A 372
ARG A 663
ARG A 721
TYR A 752
 None
 0.64A 6hcxA-2w20A:
8.3		 6hcxA-2w20A:
9.34
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ARG A  59
ASP A  84
ARG A 265
ARG A 322
TYR A 358
 KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 0.44A 6hcxA-2xziA:
21.1		 6hcxA-2xziA:
13.02
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.
2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA

(Rhodococcus
erythropolis;
Rhodococcus
erythropolis) 		PF02979
(NHase_alpha)
PF02211
(NHase_beta) 		5 GLU A 165
ASP B  53
ARG B  56
ALA B 116
GLU B 177
 None
None
CSO  A 114 ( 3.8A)
None
None
 1.19A 6hcxA-2zpbA:
undetectable		 6hcxA-2zpbA:
15.30
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.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
GLU A 276
ARG A 292
ARG A 371
TYR A 406
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-2.9A)
ZMR  A 469 (-4.7A)
 0.56A 6hcxA-3ckzA:
64.5		 6hcxA-3ckzA:
10.90
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.
3jzl PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
monocytogenes) 		PF06838
(Met_gamma_lyase) 		5 ARG A  79
GLU A  64
ASP A  61
ARG A  65
GLU A 243
 None
 1.36A 6hcxA-3jzlA:
undetectable		 6hcxA-3jzlA:
10.75
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		5 ARG A  37
ASP A  62
ARG A 246
ARG A 309
TYR A 342
 PO4  A 499 (-2.7A)
GOL  A 403 ( 3.4A)
PO4  A 499 (-2.7A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 0.83A 6hcxA-3silA:
13.1		 6hcxA-3silA:
11.90
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
ARG A 292
ARG A 371
TYR A 406
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.6A)
LNV  A 901 (-3.4A)
LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
LNV  A 901 (-4.1A)
LNV  A 901 (-3.4A)
LNV  A 901 (-3.5A)
LNV  A 901 (-2.9A)
LNV  A 901 (-2.8A)
LNV  A 901 (-2.9A)
LNV  A 901 (-4.8A)
 0.26A 6hcxA-3ti8A:
65.0		 6hcxA-3ti8A:
29.71
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.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
ARG A 292
ARG A 371
TYR A 406
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
LNV  A 801 (-4.2A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-2.9A)
LNV  A 801 (-3.0A)
LNV  A 801 (-2.9A)
LNV  A 801 (-4.4A)
 0.19A 6hcxA-3tiaA:
19.0		 6hcxA-3tiaA:
10.26
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.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 225
GLU A 228
GLU A 277
ARG A 293
ARG A 368
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
G39  A1470 (-3.7A)
G39  A1470 (-3.9A)
None
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.59A 6hcxA-4b7jA:
64.4		 6hcxA-4b7jA:
10.72
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		12 ARG A 115
GLU A 116
ASP A 148
ARG A 149
ARG A 153
ARG A 222
GLU A 225
ALA A 244
GLU A 274
ARG A 291
ARG A 373
TYR A 408
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.3A)
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-2.8A)
ZMR  A 700 (-3.0A)
ZMR  A 700 (-4.6A)
 0.52A 6hcxA-4cpnA:
54.2		 6hcxA-4cpnA:
20.34
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 ARG A 200
ASP A 225
ARG A 411
ARG A 475
TYR A 506
 PO4  A 607 ( 2.6A)
PO4  A 607 ( 3.8A)
PO4  A 607 (-2.7A)
PO4  A 607 (-2.8A)
PO4  A 607 (-4.6A)
 0.56A 6hcxA-4fj6A:
21.4		 6hcxA-4fj6A:
9.88
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.
4g9q 4-CARBOXYMUCONOLACTO
NE DECARBOXYLASE

(Sinorhizobium
meliloti) 		PF02627
(CMD) 		5 ARG A  46
GLU A 217
ARG A  54
GLU A 213
ALA A 238
 None
 1.32A 6hcxA-4g9qA:
undetectable		 6hcxA-4g9qA:
17.45
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.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
ARG A 292
ARG A 371
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
SLB  A 512 (-3.5A)
SLB  A 512 (-3.8A)
None
SLB  A 512 (-4.2A)
None
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-3.1A)
SLB  A 512 (-2.9A)
 0.22A 6hcxA-4h53A:
18.4		 6hcxA-4h53A:
11.41
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.
4hxt DE NOVO PROTEIN
OR329

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 150
ARG A 108
GLU A 143
ALA A  69
GLU A 105
 None
 1.33A 6hcxA-4hxtA:
undetectable		 6hcxA-4hxtA:
16.80
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) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
ARG A 292
ARG A 371
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
G39  A 509 (-3.6A)
G39  A 509 (-3.9A)
None
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 (-2.8A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
 0.42A 6hcxA-4hzzA:
63.1		 6hcxA-4hzzA:
31.88
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) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
ARG A 371
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
G39  A 509 (-3.6A)
G39  A 509 (-3.9A)
None
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
 0.58A 6hcxA-4hzzA:
63.1		 6hcxA-4hzzA:
31.88
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.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 ARG A 118
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
ARG A 292
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-4.2A)
None
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.1A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.68A 6hcxA-4mjuA:
62.5		 6hcxA-4mjuA:
14.34
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.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 ARG A 118
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
 27S  A 501 (-3.0A)
27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
None
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
 0.82A 6hcxA-4mjuA:
62.5		 6hcxA-4mjuA:
14.34
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.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 GLU A 119
ARG A 152
ARG A 224
ALA A 246
GLU A 276
ARG A 292
TYR A 406
 27S  A 501 (-3.4A)
27S  A 501 (-4.2A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 1.15A 6hcxA-4mjuA:
62.5		 6hcxA-4mjuA:
14.34
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ARG A 220
ASP A 245
ARG A 431
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
EDO  A 604 ( 4.3A)
None
None
None
 0.48A 6hcxA-4q6kA:
21.2		 6hcxA-4q6kA:
9.11
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) 		12 ARG A  36
GLU A  37
ASP A  69
ARG A  70
ARG A  74
ARG A 143
GLU A 146
ALA A 165
GLU A 195
ARG A 211
ARG A 290
TYR A 324
 None
 0.50A 6hcxA-4qn3A:
71.3		 6hcxA-4qn3A:
48.98
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.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 150
ARG A 108
GLU A 143
ALA A  69
GLU A 105
 None
 1.28A 6hcxA-4rv1A:
undetectable		 6hcxA-4rv1A:
12.14
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.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 234
ARG A 192
GLU A 227
ALA A 153
GLU A 189
 None
 1.35A 6hcxA-4rv1A:
undetectable		 6hcxA-4rv1A:
12.14
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.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 276
ARG A 234
GLU A 269
ALA A 195
GLU A 231
 None
 1.34A 6hcxA-4rv1A:
undetectable		 6hcxA-4rv1A:
12.14
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 293
ASP A 318
ARG A 611
ARG A 673
TYR A 713
 CNP  A 760 (-3.0A)
CNP  A 760 (-2.6A)
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.60A 6hcxA-4sliA:
11.5		 6hcxA-4sliA:
9.17
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ARG A 257
ALA A 556
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
None
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.96A 6hcxA-4x6kA:
5.5		 6hcxA-4x6kA:
10.41
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ARG A 257
ASP A 282
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
3XR  A 802 (-2.5A)
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.62A 6hcxA-4x6kA:
5.5		 6hcxA-4x6kA:
10.41
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
ALA A 538
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.15A 6hcxA-4xhbA:
8.2		 6hcxA-4xhbA:
9.49
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
ASP A 270
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.63A 6hcxA-4xhbA:
8.2		 6hcxA-4xhbA:
9.49
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 290
ASP A 315
ARG A 600
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
G39  A 801 (-3.2A)
G39  A 801 (-2.9A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.76A 6hcxA-4yw5A:
8.1		 6hcxA-4yw5A:
9.46
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
 None
 1.38A 6hcxA-5kbrA:
undetectable		 6hcxA-5kbrA:
15.83
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 12 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
ARG A 292
ARG A 371
TYR A 406
 E3M  A 511 (-3.0A)
E3M  A 511 (-3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 (-3.8A)
None
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-3.1A)
E3M  A 511 (-2.3A)
E3M  A 511 (-2.9A)
E3M  A 511 (-2.9A)
E3M  A 511 (-4.5A)
 0.26A 6hcxA-6br6A:
12.2		 6hcxA-6br6A:
46.25
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 ARG A 250
ASP A 276
ARG A 661
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-3.3A)
G39  A 908 (-2.8A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.42A 6hcxA-6eksA:
20.7		 6hcxA-6eksA:
7.54