SIMILAR PATTERNS OF AMINO ACIDS FOR 3TI5_B_ZMRB1002

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.
1ij5 PLASMODIAL SPECIFIC
LAV1-2 PROTEIN

(Physarum
polycephalum) 		PF13202
(EF-hand_5) 		5 GLU A 120
SER A 163
GLU A 107
GLU A 111
ARG A 108
 None
 1.46A 3ti5B-1ij5A:
undetectable		 3ti5B-1ij5A:
21.07
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) 		6 ARG A  35
ASP A  59
GLU A 230
ARG A 245
ARG A 314
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 (-3.0A)
DAN  A 700 (-3.5A)
 0.93A 3ti5B-1ms8A:
7.2		 3ti5B-1ms8A:
20.58
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) 		6 ARG A  36
ASP A  60
GLU A 231
ARG A 246
ARG A 315
TYR A 343
 None
 0.67A 3ti5B-1mz5A:
20.6		 3ti5B-1mz5A:
20.73
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
ASP N 151
ARG N 224
GLU N 227
GLU N 276
GLU N 277
ARG N 292
ASN N 294
ARG N 371
TYR N 406
 None
 0.77A 3ti5B-1nmbN:
63.6		 3ti5B-1nmbN:
41.77
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) 		5 ARG N 118
GLU N 119
ASP N 151
ASN N 347
TYR N 406
 None
 1.20A 3ti5B-1nmbN:
63.6		 3ti5B-1nmbN:
41.77
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) 		11 ARG A 124
GLU A 125
ASP A 157
ARG A 231
GLU A 234
GLU A 283
GLU A 284
ARG A 299
ASN A 301
ARG A 378
TYR A 412
 None
 0.48A 3ti5B-1v0zA:
64.7		 3ti5B-1v0zA:
46.29
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) 		10 ARG A 116
GLU A 117
ASP A 149
ARG A 223
GLU A 226
GLU A 276
ARG A 292
ASN A 294
ARG A 374
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.6A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.2A)
None
 0.54A 3ti5B-1vcjA:
53.0		 3ti5B-1vcjA:
36.41
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) 		7 ARG A 116
GLU A 117
ASP A 149
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 ( 4.5A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.2A)
None
 1.27A 3ti5B-1vcjA:
53.0		 3ti5B-1vcjA:
36.41
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		5 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.40A 3ti5B-1w8oA:
2.7		 3ti5B-1w8oA:
19.05
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) 		10 ARG A 119
GLU A 120
ARG A 226
GLU A 229
GLU A 278
GLU A 279
ARG A 294
ASN A 296
ARG A 372
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.64A 3ti5B-1xogA:
63.9		 3ti5B-1xogA:
48.46
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) 		10 ARG A 119
GLU A 120
ASP A 152
ARG A 226
GLU A 229
GLU A 279
ARG A 294
ASN A 296
ARG A 372
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-3.7A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.43A 3ti5B-1xogA:
63.9		 3ti5B-1xogA:
48.46
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) 		5 ARG A 119
GLU A 120
ASP A 152
ASN A 348
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-3.7A)
None
ABW  A1000 (-4.9A)
 1.00A 3ti5B-1xogA:
63.9		 3ti5B-1xogA:
48.46
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		6 ARG A 266
ASP A 291
GLU A 539
ARG A 555
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 (-2.8A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.55A 3ti5B-2bf6A:
21.4		 3ti5B-2bf6A:
21.55
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.
2f28 SIALIDASE 2

(Homo sapiens) 		PF13088
(BNR_2) 		5 ARG A  21
GLU A 218
ARG A 237
ARG A 304
TYR A 334
 None
 0.41A 3ti5B-2f28A:
4.3		 3ti5B-2f28A:
21.51
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) 		10 ARG A 118
ARG A 224
GLU A 227
SER A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 None
 0.44A 3ti5B-2htvA:
70.2		 3ti5B-2htvA:
69.74
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
ASP A 151
ARG A 224
GLU A 227
GLU A 277
ARG A 371
TYR A 406
 None
 0.64A 3ti5B-2htvA:
70.2		 3ti5B-2htvA:
69.74
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
ARG A 224
SER A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 406
 None
 0.88A 3ti5B-2htvA:
70.2		 3ti5B-2htvA:
69.74
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) 		5 GLU A 227
SER A 246
ARG A 292
ASN A 294
TYR A 406
 None
 1.28A 3ti5B-2htvA:
70.2		 3ti5B-2htvA:
69.74
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) 		6 ARG A 347
ASP A 372
GLU A 647
ARG A 663
ARG A 721
TYR A 752
 None
 0.65A 3ti5B-2w20A:
21.9		 3ti5B-2w20A:
20.08
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) 		6 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
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 ( 3.0A)
KDM  A 500 (-4.5A)
 0.47A 3ti5B-2xziA:
2.7		 3ti5B-2xziA:
23.56
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.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
 1.16A 3ti5B-2yw2A:
undetectable		 3ti5B-2yw2A:
21.83
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) 		12 ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
SER A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-3.9A)
ZMR  A 469 (-2.9A)
ZMR  A 469 (-4.7A)
 0.37A 3ti5B-3ckzA:
75.0		 3ti5B-3ckzA:
91.17
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) 		6 GLU A 119
SER A 246
GLU A 276
ARG A 292
ASN A 294
TYR A 406
 ZMR  A 469 (-3.5A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-3.9A)
ZMR  A 469 (-4.7A)
 1.27A 3ti5B-3ckzA:
75.0		 3ti5B-3ckzA:
91.17
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 ARG A 123
GLU A 119
ARG A  54
SER A  50
TYR A 124
 None
 1.50A 3ti5B-3ee4A:
undetectable		 3ti5B-3ee4A:
20.05
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.
3fok UNCHARACTERIZED
PROTEIN CGL0159

(Corynebacterium
glutamicum) 		no annotation 5 ARG A 115
ASP A 127
SER A 186
GLU A 182
ASN A 195
 None
 1.03A 3ti5B-3fokA:
undetectable		 3ti5B-3fokA:
21.60
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.
3fvc GLYCOPROTEIN GP110

(Human
gammaherpesvirus
4) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		5 GLU A 289
ARG A 291
GLU A 242
ASN A 240
ARG A 273
 None
 1.25A 3ti5B-3fvcA:
undetectable		 3ti5B-3fvcA:
21.09
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.
3juu PORPHYRANASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		5 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.43A 3ti5B-3juuA:
undetectable		 3ti5B-3juuA:
21.00
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.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.29A 3ti5B-3lp8A:
undetectable		 3ti5B-3lp8A:
20.82
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ARG A  41
GLU A 178
GLU A 176
ASN A 182
ARG A 380
 None
ZN  A 451 (-2.0A)
None
None
None
 1.33A 3ti5B-3pfoA:
undetectable		 3ti5B-3pfoA:
19.75
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.
3qfi TRANSCRIPTIONAL
REGULATOR

(Enterococcus
faecalis) 		PF03816
(LytR_cpsA_psr) 		5 ARG A 197
ASP A  70
ARG A 104
ASN A 120
ARG A 209
 None
 1.47A 3ti5B-3qfiA:
undetectable		 3ti5B-3qfiA:
18.84
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		6 ARG A  37
ASP A  62
GLU A 231
ARG A 246
ARG A 309
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 (-3.0A)
PO4  A 499 (-4.6A)
 0.80A 3ti5B-3silA:
11.4		 3ti5B-3silA:
22.84
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) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.6A)
LNV  A 901 (-3.4A)
LNV  A 901 (-4.1A)
LNV  A 901 (-3.4A)
LNV  A 901 (-2.9A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-2.8A)
LNV  A 901 (-4.0A)
LNV  A 901 (-2.9A)
LNV  A 901 (-4.8A)
 0.12A 3ti5B-3ti8A:
70.4		 3ti5B-3ti8A:
57.36
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) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-4.2A)
LNV  A 801 (-3.5A)
LNV  A 801 (-2.9A)
LNV  A 801 (-3.8A)
LNV  A 801 (-3.0A)
LNV  A 801 (-4.0A)
LNV  A 801 (-2.9A)
LNV  A 801 (-4.4A)
 0.17A 3ti5B-3tiaA:
64.4		 3ti5B-3tiaA:
42.40
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.
3zie SEPF-LIKE PROTEIN

(Archaeoglobus
fulgidus) 		PF04472
(SepF) 		5 ARG A  55
GLU A  52
GLU A  56
ARG A  40
TYR A  38
 None
 1.11A 3ti5B-3zieA:
undetectable		 3ti5B-3zieA:
15.09
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) 		12 ARG A 118
GLU A 119
ASP A 151
ARG A 225
GLU A 228
SER A 247
GLU A 277
GLU A 278
ARG A 293
ASN A 295
ARG A 368
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
G39  A1470 (-3.7A)
G39  A1470 (-4.4A)
None
G39  A1470 ( 4.3A)
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 ( 3.7A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.54A 3ti5B-4b7jA:
75.8		 3ti5B-4b7jA:
98.97
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 GLU A 228
SER A 247
ARG A 293
ASN A 295
TYR A 402
 None
G39  A1470 ( 4.3A)
G39  A1470 (-2.9A)
G39  A1470 ( 3.7A)
G39  A1470 (-4.5A)
 1.25A 3ti5B-4b7jA:
75.8		 3ti5B-4b7jA:
98.97
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
 0.86A 3ti5B-4bbwA:
6.0		 3ti5B-4bbwA:
21.35
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ARG A 204
GLU A 399
ARG A 415
ARG A 479
TYR A 510
 None
 0.62A 3ti5B-4bbwA:
6.0		 3ti5B-4bbwA:
21.35
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.
4cgs POLYMERASE SUBUNIT
PA

(Dhori
thogotovirus) 		no annotation 5 ARG A 163
GLU A 162
GLU A  31
GLU A 166
ARG A  28
 None
 1.21A 3ti5B-4cgsA:
undetectable		 3ti5B-4cgsA:
16.92
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) 		11 ARG A 115
GLU A 116
ASP A 148
ARG A 222
GLU A 225
GLU A 274
GLU A 275
ARG A 291
ASN A 293
ARG A 373
TYR A 408
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.3A)
ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.8A)
ZMR  A 700 ( 3.9A)
ZMR  A 700 (-3.0A)
ZMR  A 700 (-4.6A)
 0.41A 3ti5B-4cpnA:
53.8		 3ti5B-4cpnA:
32.43
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		6 ARG A 200
ASP A 225
GLU A 395
ARG A 411
ARG A 475
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 (-2.8A)
PO4  A 607 (-4.6A)
 0.57A 3ti5B-4fj6A:
21.5		 3ti5B-4fj6A:
22.37
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 ARG A 174
GLU A 401
ARG A 416
ARG A 498
TYR A 526
 None
 0.71A 3ti5B-4fzhA:
9.3		 3ti5B-4fzhA:
20.07
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) 		10 ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
SLB  A 512 (-3.5A)
SLB  A 512 (-4.2A)
None
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
SLB  A 512 (-3.1A)
SLB  A 512 ( 4.2A)
SLB  A 512 (-2.9A)
 0.24A 3ti5B-4h53A:
64.5		 3ti5B-4h53A:
47.36
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) 		9 ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
G39  A 509 (-3.6A)
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
 0.56A 3ti5B-4hzzA:
63.7		 3ti5B-4hzzA:
47.72
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) 		9 ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
GLU A 277
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 (-4.7A)
None
G39  A 509 ( 4.0A)
G39  A 509 (-2.8A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
 0.28A 3ti5B-4hzzA:
63.7		 3ti5B-4hzzA:
47.72
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) 		7 GLU A 119
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ASN A 294
TYR A 406
 G39  A 509 (-3.3A)
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 ( 4.4A)
G39  A 509 (-4.6A)
 0.95A 3ti5B-4hzzA:
63.7		 3ti5B-4hzzA:
47.72
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 6 ARG D 163
GLU D 390
ARG D 405
ASN D 407
ARG D 495
TYR D 523
 SO4  D 608 ( 4.1A)
None
SO4  D 608 (-2.6A)
None
SO4  D 608 (-3.3A)
None
 0.79A 3ti5B-4jf7D:
16.1		 3ti5B-4jf7D:
21.71
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.
4mel UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 11

(Homo sapiens) 		PF06337
(DUSP)
PF14836
(Ubiquitin_3) 		5 GLU A  71
GLU A  50
GLU A  43
ARG A  49
TYR A  67
 None
 1.31A 3ti5B-4melA:
undetectable		 3ti5B-4melA:
18.81
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) 		9 ARG A 118
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.6A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.55A 3ti5B-4mjuA:
67.7		 3ti5B-4mjuA:
56.15
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) 		7 GLU A 119
ARG A 224
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 406
 27S  A 501 (-3.4A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.6A)
27S  A 501 (-4.6A)
 1.03A 3ti5B-4mjuA:
67.7		 3ti5B-4mjuA:
56.15
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) 		6 ARG A 220
ASP A 245
GLU A 415
ARG A 431
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
EDO  A 604 ( 4.3A)
None
None
None
None
 0.51A 3ti5B-4q6kA:
21.4		 3ti5B-4q6kA:
19.71
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) 		11 ARG A  36
GLU A  37
ASP A  69
ARG A 143
GLU A 146
GLU A 195
GLU A 196
ARG A 211
ASN A 213
ARG A 290
TYR A 324
 None
 0.52A 3ti5B-4qn3A:
64.2		 3ti5B-4qn3A:
46.19
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		6 ARG A 293
ASP A 318
GLU A 595
ARG A 611
ARG A 673
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 (-3.0A)
CNP  A 760 (-4.0A)
 0.62A 3ti5B-4sliA:
21.5		 3ti5B-4sliA:
22.04
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) 		6 ARG A 257
ASP A 282
GLU A 559
ARG A 575
ARG A 637
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 (-3.0A)
3XR  A 802 (-4.2A)
 0.66A 3ti5B-4x6kA:
10.1		 3ti5B-4x6kA:
22.11
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) 		6 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.66A 3ti5B-4xhbA:
10.3		 3ti5B-4xhbA:
21.60
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) 		6 ARG A 290
ASP A 315
GLU A 584
ARG A 600
ARG A 662
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 (-2.9A)
G39  A 801 (-4.4A)
 0.77A 3ti5B-4yw5A:
9.9		 3ti5B-4yw5A:
21.23
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.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		5 ARG A 180
GLU A 407
ARG A 422
ARG A 512
TYR A 540
 SLT  A 606 (-2.6A)
SLT  A 606 (-3.8A)
SLT  A 606 (-3.0A)
SLT  A 606 (-2.8A)
SLT  A 606 (-4.7A)
 0.53A 3ti5B-5b2dA:
7.2		 3ti5B-5b2dA:
21.72
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 11 ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
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)
E3M  A 511 ( 4.8A)
E3M  A 511 (-2.3A)
E3M  A 511 ( 3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 ( 3.1A)
E3M  A 511 (-2.9A)
E3M  A 511 (-4.5A)
 0.29A 3ti5B-6br6A:
64.5		 3ti5B-6br6A:
13.17
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 6 ARG A 250
ASP A 276
GLU A 645
ARG A 661
ARG A 738
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 (-3.0A)
G39  A 908 (-4.6A)
 0.45A 3ti5B-6eksA:
20.9		 3ti5B-6eksA:
20.39
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.
6es9 ACYL-COA
DEHYDROGENASE

(Paracoccus
denitrificans) 		no annotation 5 ARG A  73
GLU A 477
GLU A  70
GLU A 487
ARG A 548
 None
 1.32A 3ti5B-6es9A:
undetectable		 3ti5B-6es9A:
10.03
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.
6fel 14-3-3 PROTEIN GAMMA

(Homo sapiens) 		no annotation 5 ARG A  61
GLU A 185
ARG A 132
ASN A 178
ARG A  57
 None
 1.17A 3ti5B-6felA:
undetectable		 3ti5B-6felA:
11.49
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
 0.35A 3ti5B-1nmbN:
63.6		 3ti5B-1nmbN:
41.77
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
 0.25A 3ti5B-1v0zA:
64.7		 3ti5B-1v0zA:
46.29
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 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)
 0.42A 3ti5B-1vcjA:
53.0		 3ti5B-1vcjA:
36.41
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)
 0.46A 3ti5B-1xogA:
63.9		 3ti5B-1xogA:
48.46
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
 0.38A 3ti5B-2htvA:
70.2		 3ti5B-2htvA:
69.74
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
 0.72A 3ti5B-3ckzA:
75.0		 3ti5B-3ckzA:
91.17
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 3ti5B-3ti8A:
70.4		 3ti5B-3ti8A:
57.36
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
 0.08A 3ti5B-3tiaA:
64.4		 3ti5B-3tiaA:
42.40
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
 0.14A 3ti5B-4cpnA:
53.8		 3ti5B-4cpnA:
32.43
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
 0.12A 3ti5B-4h53A:
64.5		 3ti5B-4h53A:
47.36
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)
 0.16A 3ti5B-4hzzA:
63.7		 3ti5B-4hzzA:
47.72
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)
 0.65A 3ti5B-4mjuA:
67.7		 3ti5B-4mjuA:
56.15
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
 0.26A 3ti5B-4qn3A:
64.2		 3ti5B-4qn3A:
46.19
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.
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)
 0.11A 3ti5B-6br6A:
64.5		 3ti5B-6br6A:
13.17