SIMILAR PATTERNS OF AMINO ACIDS FOR 3K39_B_BCZB1001

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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  35
ASP A  59
GLU A 230
ARG A 245
TYR A 342
 DAN  A 700 (-3.0A)
DAN  A 700 (-2.7A)
DAN  A 700 (-3.3A)
DAN  A 700 (-2.8A)
DAN  A 700 (-3.5A)
 0.64A 3k39B-1ms8A:
23.4		 3k39B-1ms8A:
20.03
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
GLU A 231
ARG A 246
TYR A 343
 None
 0.50A 3k39B-1mz5A:
24.1		 3k39B-1mz5A:
20.31
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) 		11 ARG N 118
GLU N 119
LEU N 134
ARG N 152
ARG N 156
ARG N 224
GLU N 227
ALA N 246
GLU N 277
ARG N 292
TYR N 406
 None
 0.79A 3k39B-1nmbN:
53.4		 3k39B-1nmbN:
30.64
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) 		11 ARG N 118
GLU N 119
LEU N 134
ASP N 151
ARG N 152
ARG N 156
ARG N 224
GLU N 227
GLU N 277
ARG N 292
TYR N 406
 None
 0.88A 3k39B-1nmbN:
53.4		 3k39B-1nmbN:
30.64
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
LEU A 140
ASP A 157
ARG A 158
ARG A 162
ARG A 231
GLU A 234
ALA A 253
GLU A 284
ARG A 299
TYR A 412
 None
 0.56A 3k39B-1v0zA:
53.4		 3k39B-1v0zA:
32.93
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) 		12 ARG A 116
GLU A 117
LEU A 132
ASP A 149
ARG A 150
ARG A 154
ARG A 223
GLU A 226
ALA A 245
GLU A 276
ARG A 292
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
None
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 (-3.9A)
IBA  A   1 (-3.5A)
None
 0.68A 3k39B-1vcjA:
73.2		 3k39B-1vcjA:
93.57
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) 		12 ARG A 119
GLU A 120
LEU A 135
ASP A 152
ARG A 153
ARG A 157
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
None
ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-4.9A)
 0.73A 3k39B-1xogA:
52.7		 3k39B-1xogA:
31.80
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.
1z6n HYPOTHETICAL PROTEIN
PA1234

(Pseudomonas
aeruginosa) 		PF14595
(Thioredoxin_9) 		5 ARG A 103
LEU A  59
ASP A  99
ARG A  95
GLU A   6
 None
 1.43A 3k39B-1z6nA:
undetectable		 3k39B-1z6nA:
16.37
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 ARG A 266
ASP A 291
GLU A 539
ARG A 555
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 (-2.8A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-2.9A)
SIA  A1692 (-4.2A)
 0.43A 3k39B-2bf6A:
24.9		 3k39B-2bf6A:
22.43
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ASP A 182
ARG A 442
ARG A 231
GLU A 435
GLU A 412
 None
 1.12A 3k39B-2csdA:
undetectable		 3k39B-2csdA:
21.23
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) 		9 ARG A 118
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
GLU A 277
ARG A 292
TYR A 406
 None
 0.83A 3k39B-2htvA:
51.3		 3k39B-2htvA:
35.90
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) 		7 ARG A 118
LEU A 134
ASP A 151
ARG A 152
GLU A 227
GLU A 277
TYR A 406
 None
 1.00A 3k39B-2htvA:
51.3		 3k39B-2htvA:
35.90
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) 		8 GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 277
ARG A 292
TYR A 406
 None
 1.15A 3k39B-2htvA:
51.3		 3k39B-2htvA:
35.90
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) 		6 LEU A 134
ARG A 152
GLU A 119
GLU A 277
ARG A 292
TYR A 406
 None
 0.97A 3k39B-2htvA:
51.3		 3k39B-2htvA:
35.90
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) 		6 LEU A 134
ASP A 151
ARG A 152
GLU A 119
GLU A 277
TYR A 406
 None
 1.19A 3k39B-2htvA:
51.3		 3k39B-2htvA:
35.90
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.
2lz1 NUCLEAR FACTOR
ERYTHROID 2-RELATED
FACTOR 2

(Homo sapiens) 		PF03131
(bZIP_Maf) 		5 ARG A  16
GLU A  18
LEU A  17
ARG A  84
ALA A  28
 None
 1.18A 3k39B-2lz1A:
undetectable		 3k39B-2lz1A:
16.49
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ARG A 347
ASP A 372
GLU A 647
ARG A 663
TYR A 752
 None
 0.54A 3k39B-2w20A:
24.9		 3k39B-2w20A:
22.09
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
GLU A 249
ARG A 265
TYR A 358
 KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 (-4.5A)
 0.43A 3k39B-2xziA:
25.0		 3k39B-2xziA:
22.22
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		5 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.37A 3k39B-2yjqA:
undetectable		 3k39B-2yjqA:
20.86
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) 		11 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
GLU A 277
ARG A 292
TYR A 406
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
None
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 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-4.7A)
 0.64A 3k39B-3ckzA:
53.0		 3k39B-3ckzA:
34.96
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 GLU A 555
ARG A 623
GLU A 535
ARG A 604
TYR A 557
 None
 1.47A 3k39B-3kt4A:
undetectable		 3k39B-3kt4A:
19.65
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.
3n0r RESPONSE REGULATOR

(Caulobacter
vibrioides) 		PF00072
(Response_reg) 		5 GLU A 106
LEU A 105
ARG A  19
ARG A  16
TYR A  57
 None
 1.42A 3k39B-3n0rA:
undetectable		 3k39B-3n0rA:
22.17
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		5 ARG A  37
ASP A  62
GLU A 231
ARG A 246
TYR A 342
 PO4  A 499 (-2.7A)
GOL  A 403 ( 3.4A)
GOL  A 402 (-3.3A)
PO4  A 499 (-2.7A)
PO4  A 499 (-4.6A)
 0.64A 3k39B-3silA:
23.3		 3k39B-3silA:
21.20
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) 		12 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
TYR A 406
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.6A)
None
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 ( 3.8A)
LNV  A 901 (-2.8A)
LNV  A 901 (-4.8A)
 0.47A 3k39B-3ti8A:
53.2		 3k39B-3ti8A:
35.35
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
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
TYR A 406
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
None
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 (-3.8A)
LNV  A 801 (-3.0A)
LNV  A 801 (-4.4A)
 0.51A 3k39B-3tiaA:
54.6		 3k39B-3tiaA:
29.76
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 ASP A 283
ARG A 279
ALA A 315
GLU A 228
ARG A 314
 None
 1.27A 3k39B-4a7kA:
10.5		 3k39B-4a7kA:
17.09
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) 		11 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 225
GLU A 228
GLU A 278
ARG A 293
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
None
G39  A1470 (-3.7A)
G39  A1470 (-3.9A)
None
G39  A1470 (-4.4A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-4.5A)
 0.59A 3k39B-4b7jA:
52.6		 3k39B-4b7jA:
33.33
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) 		5 ARG A 223
GLU A 228
GLU A 278
ARG A 293
TYR A 402
 G39  A1470 (-4.0A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-4.5A)
 1.34A 3k39B-4b7jA:
52.6		 3k39B-4b7jA:
33.33
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ARG A 204
ASP A 229
GLU A 399
ARG A 415
TYR A 510
 None
 0.83A 3k39B-4bbwA:
24.9		 3k39B-4bbwA:
22.05
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) 		12 ARG A 115
GLU A 116
LEU A 131
ASP A 148
ARG A 149
ARG A 153
ARG A 222
GLU A 225
ALA A 244
GLU A 275
ARG A 291
TYR A 408
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
None
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 (-3.4A)
ZMR  A 700 (-2.8A)
ZMR  A 700 (-4.6A)
 0.47A 3k39B-4cpnA:
73.9		 3k39B-4cpnA:
96.98
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) 		5 ARG A 291
GLU A 275
GLU A 225
ALA A 440
GLU A 116
 ZMR  A 700 (-2.8A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-3.5A)
None
ZMR  A 700 (-3.5A)
 1.46A 3k39B-4cpnA:
73.9		 3k39B-4cpnA:
96.98
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 ARG A 200
ASP A 225
GLU A 395
ARG A 411
TYR A 506
 PO4  A 607 ( 2.6A)
PO4  A 607 ( 3.8A)
PO4  A 607 ( 4.8A)
PO4  A 607 (-2.7A)
PO4  A 607 (-4.6A)
 0.48A 3k39B-4fj6A:
24.7		 3k39B-4fj6A:
21.02
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.
4frt PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ASP A 157
ARG A 156
ARG A  64
ALA A 282
GLU A 162
 None
 1.48A 3k39B-4frtA:
undetectable		 3k39B-4frtA:
22.47
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) 		11 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
None
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 (-2.7A)
SLB  A 512 (-3.1A)
 0.55A 3k39B-4h53A:
54.6		 3k39B-4h53A:
31.78
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) 		5 GLU A 119
LEU A 134
ASP A 151
ARG A 156
ARG A 371
 SLB  A 512 (-3.5A)
None
SLB  A 512 (-3.5A)
None
SLB  A 512 (-2.9A)
 1.46A 3k39B-4h53A:
54.6		 3k39B-4h53A:
31.78
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) 		12 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
None
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 ( 4.0A)
G39  A 509 (-2.8A)
G39  A 509 (-4.6A)
 0.56A 3k39B-4hzzA:
51.9		 3k39B-4hzzA:
34.06
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) 		10 ARG A 118
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
TYR A 406
 27S  A 501 (-3.0A)
None
27S  A 501 (-4.2A)
None
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.68A 3k39B-4mjuA:
51.6		 3k39B-4mjuA:
34.84
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) 		6 ARG A 118
LEU A 134
ASP A 151
ARG A 152
ARG A 156
GLU A 277
 27S  A 501 (-3.0A)
None
27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
None
27S  A 501 (-3.4A)
 0.91A 3k39B-4mjuA:
51.6		 3k39B-4mjuA:
34.84
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) 		8 GLU A 119
LEU A 134
ARG A 152
ARG A 224
ALA A 246
GLU A 277
ARG A 292
TYR A 406
 27S  A 501 (-3.4A)
None
27S  A 501 (-4.2A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 1.06A 3k39B-4mjuA:
51.6		 3k39B-4mjuA:
34.84
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) 		8 LEU A 134
ARG A 152
ARG A 156
GLU A 119
ALA A 246
GLU A 277
ARG A 292
TYR A 406
 None
27S  A 501 (-4.2A)
None
27S  A 501 (-3.4A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.98A 3k39B-4mjuA:
51.6		 3k39B-4mjuA:
34.84
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) 		6 LEU A 134
ASP A 151
ARG A 152
ARG A 156
GLU A 119
GLU A 277
 None
27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
None
27S  A 501 (-3.4A)
27S  A 501 (-3.4A)
 1.19A 3k39B-4mjuA:
51.6		 3k39B-4mjuA:
34.84
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) 		5 LEU A 134
ASP A 151
ARG A 156
GLU A 119
ARG A 371
 None
27S  A 501 (-3.2A)
None
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
 1.47A 3k39B-4mjuA:
51.6		 3k39B-4mjuA:
34.84
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.
4o5m ISOVALERYL-COA
DEHYDROGENASE

(Brucella suis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  12
ARG A  78
GLU A  74
ARG A 296
TYR A 300
 None
 1.41A 3k39B-4o5mA:
undetectable		 3k39B-4o5mA:
22.52
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
GLU A 415
ARG A 431
TYR A 526
 EDO  A 604 (-4.0A)
EDO  A 604 ( 4.3A)
None
None
None
 0.42A 3k39B-4q6kA:
24.4		 3k39B-4q6kA:
21.54
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
LEU A  52
ASP A  69
ARG A  70
ARG A  74
ARG A 143
GLU A 146
ALA A 165
GLU A 196
ARG A 211
TYR A 324
 None
 0.62A 3k39B-4qn3A:
53.2		 3k39B-4qn3A:
32.37
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 293
ASP A 318
GLU A 595
ARG A 611
TYR A 713
 CNP  A 760 (-3.0A)
CNP  A 760 (-2.6A)
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.53A 3k39B-4sliA:
24.6		 3k39B-4sliA:
21.27
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
GLU A 559
ARG A 575
TYR A 677
 3XR  A 802 (-3.0A)
3XR  A 802 (-2.5A)
3XR  A 802 ( 4.7A)
3XR  A 802 (-2.6A)
3XR  A 802 (-4.2A)
 0.54A 3k39B-4x6kA:
21.2		 3k39B-4x6kA:
22.42
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
GLU A 541
ARG A 557
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-4.8A)
 0.56A 3k39B-4xhbA:
22.6		 3k39B-4xhbA:
20.27
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.
4xym BETA SUBUNIT OF
ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13549
(ATP-grasp_5) 		5 ARG B  51
GLU B  44
ALA B  88
GLU B  43
ARG B  90
 None
 1.42A 3k39B-4xymB:
undetectable		 3k39B-4xymB:
20.46
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 290
ASP A 315
GLU A 584
ARG A 600
TYR A 695
 G39  A 801 (-2.6A)
G39  A 801 (-3.2A)
G39  A 801 ( 4.7A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.73A 3k39B-4yw5A:
23.8		 3k39B-4yw5A:
20.41
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 GLU A 740
LEU A 478
ASP A 472
ARG A 627
ARG A 471
 None
 1.49A 3k39B-5nd1A:
undetectable		 3k39B-5nd1A:
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 ARG A 422
GLU A 415
LEU A 425
ARG A 450
ALA A  41
 None
 1.30A 3k39B-5oasA:
undetectable		 3k39B-5oasA:
19.13
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 LEU A 620
ASP A 570
ARG A 576
GLU A 638
ARG A 635
 None
 1.44A 3k39B-5wugA:
undetectable		 3k39B-5wugA:
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.
5zvs PUTATIVE CORE
PROTEIN NTPASE/VP5

(Aquareovirus C) 		no annotation 5 GLU 4 383
LEU 4 295
ARG 4 311
ALA 4 267
ARG 4 266
 None
 1.50A 3k39B-5zvs4:
undetectable		 3k39B-5zvs4:
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 12 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
TYR A 406
 E3M  A 511 (-3.0A)
E3M  A 511 (-3.6A)
None
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 ( 3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 (-4.5A)
 0.57A 3k39B-6br6A:
54.0		 3k39B-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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 ARG A 250
ASP A 276
GLU A 645
ARG A 661
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-3.3A)
G39  A 908 (-4.0A)
G39  A 908 (-2.8A)
G39  A 908 (-4.6A)
 0.43A 3k39B-6eksA:
6.3		 3k39B-6eksA:
19.43