SIMILAR PATTERNS OF AMINO ACIDS FOR 4MWR_A_ZMRA513_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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
 1.28A 4mwrA-1eqnA:
undetectable		 4mwrA-1eqnA:
19.25
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  36
GLU A 231
ARG A 246
ARG A 315
TYR A 343
 None
 0.57A 4mwrA-1mz5A:
20.2		 4mwrA-1mz5A:
20.74
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
ARG N 156
ARG N 224
GLU N 227
ALA N 246
GLU N 276
GLU N 277
ARG N 292
ASN N 294
ARG N 371
TYR N 406
 None
 0.62A 4mwrA-1nmbN:
72.9		 4mwrA-1nmbN:
78.30
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
ARG N 156
ASN N 347
TYR N 406
 None
 0.90A 4mwrA-1nmbN:
72.9		 4mwrA-1nmbN:
78.30
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 GLU N 227
ALA N 246
ARG N 292
ASN N 294
TYR N 406
 None
 1.34A 4mwrA-1nmbN:
72.9		 4mwrA-1nmbN:
78.30
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
ARG A 162
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
ASN A 301
ARG A 378
TYR A 412
 None
 0.44A 4mwrA-1v0zA:
73.0		 4mwrA-1v0zA:
68.89
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) 		11 ARG A 116
GLU A 117
ARG A 154
ARG A 223
GLU A 226
ALA A 245
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 (-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)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.2A)
None
 0.57A 4mwrA-1vcjA:
53.8		 4mwrA-1vcjA:
31.70
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) 		5 ARG A 116
GLU A 117
ARG A 223
GLU A 275
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-4.1A)
None
 1.40A 4mwrA-1vcjA:
53.8		 4mwrA-1vcjA:
31.70
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) 		5 GLU A 226
ALA A 245
ARG A 292
ASN A 294
TYR A 409
 IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 ( 3.9A)
None
 1.27A 4mwrA-1vcjA:
53.8		 4mwrA-1vcjA:
31.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.43A 4mwrA-1w8oA:
9.1		 4mwrA-1w8oA:
21.24
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
ARG A 157
ARG A 226
GLU A 229
ALA A 248
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 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.43A 4mwrA-1xogA:
74.6		 4mwrA-1xogA:
94.59
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
ARG A 157
ASN A 348
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-4.2A)
None
ABW  A1000 (-4.9A)
 0.99A 4mwrA-1xogA:
74.6		 4mwrA-1xogA:
94.59
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 GLU A 120
ALA A 248
ARG A 294
ASN A 296
TYR A 406
 ABW  A1000 (-3.7A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-4.9A)
 1.26A 4mwrA-1xogA:
74.6		 4mwrA-1xogA:
94.59
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 GLU A 120
ARG A 157
ARG A 226
GLU A 229
ALA A 248
GLU A 278
GLU A 279
ARG A 294
ASN A 296
TYR A 406
 ABW  A1000 (-3.7A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-4.9A)
 0.66A 4mwrA-1xogA:
74.6		 4mwrA-1xogA:
94.59
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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		5 ARG A  55
GLU A 167
ALA A 173
GLU A 166
ARG A 253
 None
 1.45A 4mwrA-1y4jA:
undetectable		 4mwrA-1y4jA:
20.94
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
GLU A 539
ARG A 555
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.44A 4mwrA-2bf6A:
21.2		 4mwrA-2bf6A:
22.41
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.
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
 0.42A 4mwrA-2f28A:
21.0		 4mwrA-2f28A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL
SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF08442
(ATP-grasp_2) 		5 GLU A 224
ALA A 247
GLU A 223
ARG A 161
ARG B 123
 None
 1.46A 4mwrA-2fpgA:
undetectable		 4mwrA-2fpgA:
22.30
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 156
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 None
 0.51A 4mwrA-2htvA:
62.7		 4mwrA-2htvA:
43.00
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 156
ARG A 224
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 406
 None
 1.06A 4mwrA-2htvA:
62.7		 4mwrA-2htvA:
43.00
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor) 		PF02668
(TauD) 		5 ARG A 257
ARG A 251
GLU A 250
ALA A 205
GLU A 207
 None
 1.44A 4mwrA-2og7A:
undetectable		 4mwrA-2og7A:
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.
2qni UNCHARACTERIZED
PROTEIN ATU0299

(Agrobacterium
fabrum) 		PF00300
(His_Phos_1) 		5 ARG A  52
GLU A  51
ALA A 213
GLU A 215
GLU A  55
 None
 1.36A 4mwrA-2qniA:
undetectable		 4mwrA-2qniA:
19.85
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
 1.40A 4mwrA-2rhqB:
undetectable		 4mwrA-2rhqB:
19.02
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ARG A 347
GLU A 647
ARG A 663
ARG A 721
TYR A 752
 None
 0.51A 4mwrA-2w20A:
8.1		 4mwrA-2w20A:
22.47
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa) 		PF13088
(BNR_2) 		5 ARG A  78
GLU A 182
ARG A 198
ARG A 260
TYR A 297
 None
 1.17A 4mwrA-2w38A:
20.1		 4mwrA-2w38A:
22.10
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
GLU A 249
ARG A 265
ARG A 322
TYR A 358
 KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 0.41A 4mwrA-2xziA:
21.1		 4mwrA-2xziA:
21.34
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.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00590
(TP_methylase) 		5 GLU A 114
ARG A 111
ARG A 118
GLU A 121
GLU A 117
 None
UP2  A1268 (-3.8A)
None
None
None
 1.25A 4mwrA-2ybqA:
undetectable		 4mwrA-2ybqA:
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.
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 4mwrA-2yw2A:
undetectable		 4mwrA-2yw2A:
21.91
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
ARG A 156
ARG A 224
GLU A 227
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 (-3.4A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
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)
 0.57A 4mwrA-3ckzA:
64.3		 4mwrA-3ckzA:
48.21
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) 		5 GLU A 119
GLU A 276
ARG A 292
ASN A 294
TYR A 406
 ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-3.9A)
ZMR  A 469 (-4.7A)
 1.34A 4mwrA-3ckzA:
64.3		 4mwrA-3ckzA:
48.21
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.
3din PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Thermotoga
maritima) 		PF00344
(SecY) 		5 GLU C 330
ARG C 107
ALA C 236
GLU C 237
ARG C 336
 None
 1.48A 4mwrA-3dinC:
undetectable		 4mwrA-3dinC:
20.93
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 4mwrA-3fvcA:
undetectable		 4mwrA-3fvcA:
20.51
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe) 		PF08389
(Xpo1) 		5 ARG T 561
GLU T 619
ALA T 683
ARG T 725
ASN T 728
 None
None
None
C  D  56 ( 3.0A)
None
 1.36A 4mwrA-3icqT:
undetectable		 4mwrA-3icqT:
16.45
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.
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
 1.41A 4mwrA-3kt4A:
undetectable		 4mwrA-3kt4A:
19.69
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
 1.30A 4mwrA-3lp8A:
undetectable		 4mwrA-3lp8A:
19.88
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		5 ARG A  37
GLU A 231
ARG A 246
ARG A 309
TYR A 342
 PO4  A 499 (-2.7A)
GOL  A 402 (-3.3A)
PO4  A 499 (-2.7A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 0.53A 4mwrA-3silA:
19.7		 4mwrA-3silA:
22.48
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) 		12 ARG A 118
GLU A 119
ARG A 156
ARG A 224
GLU A 227
ALA A 246
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 (-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 ( 3.8A)
LNV  A 901 (-2.8A)
LNV  A 901 (-4.0A)
LNV  A 901 (-2.9A)
LNV  A 901 (-4.8A)
 0.21A 4mwrA-3ti8A:
65.1		 4mwrA-3ti8A:
43.61
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) 		12 ARG A 118
GLU A 119
ARG A 156
ARG A 224
GLU A 227
ALA A 246
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 (-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 (-3.8A)
LNV  A 801 (-3.0A)
LNV  A 801 (-4.0A)
LNV  A 801 (-2.9A)
LNV  A 801 (-4.4A)
 0.14A 4mwrA-3tiaA:
64.8		 4mwrA-3tiaA:
42.28
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
 1.08A 4mwrA-3zieA:
undetectable		 4mwrA-3zieA:
12.70
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) 		10 ARG A 118
GLU A 119
ARG A 156
ARG A 225
GLU A 228
GLU A 277
GLU A 278
ARG A 293
ARG A 368
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
None
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.61A 4mwrA-4b7jA:
64.3		 4mwrA-4b7jA:
40.76
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) 		10 ARG A 118
GLU A 119
ARG A 156
ARG A 225
GLU A 228
GLU A 278
ARG A 293
ASN A 295
ARG A 368
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
None
G39  A1470 (-4.4A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 ( 3.7A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.43A 4mwrA-4b7jA:
64.3		 4mwrA-4b7jA:
40.76
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.
4b9d SERINE/THREONINE-PRO
TEIN KINASE NEK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A  25
GLU A  68
GLU A   2
ARG A  67
ARG A  28
 None
 1.29A 4mwrA-4b9dA:
undetectable		 4mwrA-4b9dA:
21.85
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
 1.23A 4mwrA-4cgsA:
undetectable		 4mwrA-4cgsA:
18.55
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		12 ARG A 115
GLU A 116
ARG A 153
ARG A 222
GLU A 225
ALA A 244
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 (-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 (-3.4A)
ZMR  A 700 (-2.8A)
ZMR  A 700 ( 3.9A)
ZMR  A 700 (-3.0A)
ZMR  A 700 (-4.6A)
 0.50A 4mwrA-4cpnA:
54.2		 4mwrA-4cpnA:
28.93
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) 		6 ARG A 222
ALA A 244
GLU A 274
GLU A 275
ARG A 115
TYR A 408
 ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.9A)
ZMR  A 700 (-4.6A)
 1.49A 4mwrA-4cpnA:
54.2		 4mwrA-4cpnA:
28.93
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
GLU A 395
ARG A 411
ARG A 475
TYR A 506
 PO4  A 607 ( 2.6A)
PO4  A 607 ( 4.8A)
PO4  A 607 (-2.7A)
PO4  A 607 (-2.8A)
PO4  A 607 (-4.6A)
 0.48A 4mwrA-4fj6A:
21.3		 4mwrA-4fj6A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.73A 4mwrA-4fzhA:
8.1		 4mwrA-4fzhA:
20.96
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.
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
 1.29A 4mwrA-4g9qA:
undetectable		 4mwrA-4g9qA:
21.48
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
ARG A 156
ARG A 224
GLU A 227
ALA A 246
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)
None
SLB  A 512 (-4.2A)
None
SLB  A 512 (-3.3A)
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)
 0.16A 4mwrA-4h53A:
64.8		 4mwrA-4h53A:
49.49
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 ARG A 224
ALA A 246
GLU A 276
GLU A 277
ARG A 118
 SLB  A 512 (-4.2A)
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
SLB  A 512 (-2.7A)
 1.31A 4mwrA-4h53A:
64.8		 4mwrA-4h53A:
49.49
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
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
None
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-4.6A)
 0.59A 4mwrA-4hzzA:
63.0		 4mwrA-4hzzA:
48.61
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) 		10 ARG A 118
GLU A 119
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
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 (-2.9A)
G39  A 509 (-4.6A)
 0.38A 4mwrA-4hzzA:
63.0		 4mwrA-4hzzA:
48.61
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 GLU A 119
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ASN A 294
TYR A 406
 G39  A 509 (-3.3A)
None
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 ( 4.4A)
G39  A 509 (-4.6A)
 0.89A 4mwrA-4hzzA:
63.0		 4mwrA-4hzzA:
48.61
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.
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 4mwrA-4jf7D:
11.5		 4mwrA-4jf7D:
21.56
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.
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
 1.34A 4mwrA-4melA:
undetectable		 4mwrA-4melA:
20.88
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) 		11 ARG A 118
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
None
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.6A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.58A 4mwrA-4mjuA:
62.5		 4mwrA-4mjuA:
44.25
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
ARG A 224
ALA A 246
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 ( 3.8A)
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)
 0.99A 4mwrA-4mjuA:
62.5		 4mwrA-4mjuA:
44.25
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ARG A 220
GLU A 415
ARG A 431
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
None
None
None
None
 0.44A 4mwrA-4q6kA:
9.0		 4mwrA-4q6kA:
20.38
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
ARG A  74
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
ASN A 213
ARG A 290
TYR A 324
 None
 0.46A 4mwrA-4qn3A:
71.2		 4mwrA-4qn3A:
62.05
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ALA A 592
GLU A 595
ARG A 611
ARG A 673
TYR A 713
 None
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.95A 4mwrA-4sliA:
7.9		 4mwrA-4sliA:
22.14
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
GLU A 595
ARG A 611
ARG A 673
TYR A 713
 CNP  A 760 (-3.0A)
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.61A 4mwrA-4sliA:
7.9		 4mwrA-4sliA:
22.14
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		5 ARG A 230
GLU A 373
ALA A 473
GLU A 437
ARG A 371
 None
 1.13A 4mwrA-4txkA:
undetectable		 4mwrA-4txkA:
18.86
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
ALA A 556
GLU A 559
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
None
3XR  A 802 ( 4.7A)
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.96A 4mwrA-4x6kA:
2.7		 4mwrA-4x6kA:
21.21
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
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.15A 4mwrA-4xhbA:
8.4		 4mwrA-4xhbA:
20.42
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		5 ARG A 339
ALA A 645
GLU A 560
ARG A 167
ARG A 137
 None
 1.37A 4mwrA-4yj1A:
undetectable		 4mwrA-4yj1A:
20.95
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
GLU A 584
ARG A 600
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
G39  A 801 ( 4.7A)
G39  A 801 (-2.9A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.44A 4mwrA-4yw5A:
20.3		 4mwrA-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.
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)
 0.56A 4mwrA-5b2dA:
9.7		 4mwrA-5b2dA:
21.74
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		5 ARG A  92
GLU A 179
ALA A 144
ASN A 141
TYR A 176
 None
 1.34A 4mwrA-5czzA:
undetectable		 4mwrA-5czzA:
14.95
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
 1.37A 4mwrA-5kbrA:
undetectable		 4mwrA-5kbrA:
20.40
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.
5y7i CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 2

(Oreochromis
mossambicus) 		no annotation 5 GLU A  88
ALA A 180
GLU A  87
ARG A  35
ASN A 183
 None
 1.15A 4mwrA-5y7iA:
undetectable		 4mwrA-5y7iA:
12.11
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 12 ARG A 118
GLU A 119
ARG A 156
ARG A 224
GLU A 227
ALA A 246
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)
None
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-3.1A)
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)
 0.19A 4mwrA-6br6A:
64.6		 4mwrA-6br6A:
20.97
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 ARG A 250
GLU A 645
ARG A 661
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-4.0A)
G39  A 908 (-2.8A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.35A 4mwrA-6eksA:
20.7		 4mwrA-6eksA:
19.11
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.
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
 1.33A 4mwrA-6es9A:
undetectable		 4mwrA-6es9A:
9.19
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.
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
 1.13A 4mwrA-6felA:
undetectable		 4mwrA-6felA:
10.03