SIMILAR PATTERNS OF AMINO ACIDS FOR 6EKU_A_ZMRA901_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.
1g0i INOSITOL
MONOPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF00459
(Inositol_P) 		5 ILE A 171
ASN A  88
GLU A 178
ASP A  84
TYR A 152
 None
None
None
MN  A 290 ( 3.3A)
None
 1.08A 6ekuA-1g0iA:
undetectable		 6ekuA-1g0iA:
14.51
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		6 ARG A  35
ARG A  53
ASP A  96
ARG A 245
ASP A 247
TYR A 342
 DAN  A 700 (-3.0A)
DAN  A 700 (-3.0A)
DAN  A 700 (-3.3A)
DAN  A 700 (-2.8A)
None
DAN  A 700 (-3.5A)
 0.91A 6ekuA-1ms8A:
38.0		 6ekuA-1ms8A:
22.19
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		7 ARG A  35
ARG A  53
ASP A  96
GLU A 230
ARG A 245
ARG A 314
TYR A 342
 DAN  A 700 (-3.0A)
DAN  A 700 (-3.0A)
DAN  A 700 (-3.3A)
DAN  A 700 (-3.3A)
DAN  A 700 (-2.8A)
DAN  A 700 (-3.0A)
DAN  A 700 (-3.5A)
 0.85A 6ekuA-1ms8A:
38.0		 6ekuA-1ms8A:
22.19
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		6 ARG A  36
ILE A  37
ARG A  54
ARG A 246
ASP A 248
TYR A 343
 None
 1.05A 6ekuA-1mz5A:
38.7		 6ekuA-1mz5A:
21.78
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) 		7 ARG A  36
ILE A  37
ARG A  54
GLU A 231
ARG A 246
ARG A 315
TYR A 343
 None
 0.54A 6ekuA-1mz5A:
38.7		 6ekuA-1mz5A:
21.78
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
ILE A  37
ASP A  97
ARG A 246
ASP A 248
TYR A 343
 None
 1.20A 6ekuA-1mz5A:
38.7		 6ekuA-1mz5A:
21.78
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) 		7 ARG A  36
ILE A  37
ASP A  97
GLU A 231
ARG A 246
ARG A 315
TYR A 343
 None
 0.79A 6ekuA-1mz5A:
38.7		 6ekuA-1mz5A:
21.78
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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG N 118
GLU N 277
ARG N 292
ARG N 371
TYR N 406
 None
 0.58A 6ekuA-1nmbN:
11.4		 6ekuA-1nmbN:
21.86
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 124
GLU A 284
ARG A 299
ARG A 378
TYR A 412
 None
 0.41A 6ekuA-1v0zA:
11.8		 6ekuA-1v0zA:
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.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 ARG A 116
GLU A 276
ARG A 292
ARG A 374
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 (-3.2A)
None
 0.44A 6ekuA-1vcjA:
14.0		 6ekuA-1vcjA:
19.06
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) 		7 ARG A  68
ILE A  69
ARG A  87
ARG A 276
ASP A 259
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
CIT  A1649 (-3.0A)
CIT  A1649 ( 2.7A)
GOL  A1651 (-2.8A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.79A 6ekuA-1w8oA:
43.3		 6ekuA-1w8oA:
23.00
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		7 ARG A  68
ILE A  69
ARG A  87
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
CIT  A1649 (-3.0A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.41A 6ekuA-1w8oA:
43.3		 6ekuA-1w8oA:
23.00
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		7 ARG A  68
ILE A  69
ASP A 131
ARG A 276
ASP A 259
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
GOL  A1650 (-2.7A)
CIT  A1649 ( 2.7A)
GOL  A1651 (-2.8A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 1.01A 6ekuA-1w8oA:
43.3		 6ekuA-1w8oA:
23.00
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		7 ARG A  68
ILE A  69
ASP A 131
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
GOL  A1650 (-2.7A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.68A 6ekuA-1w8oA:
43.3		 6ekuA-1w8oA:
23.00
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.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 119
GLU A 279
ARG A 294
ARG A 372
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.50A 6ekuA-1xogA:
11.7		 6ekuA-1xogA:
17.48
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.
2b0v NUDIX HYDROLASE

(Nitrosomonas
europaea) 		PF00293
(NUDIX) 		5 ARG A 139
GLU A  65
GLU A  14
ASP A  17
TYR A 134
 None
 1.34A 6ekuA-2b0vA:
undetectable		 6ekuA-2b0vA:
11.51
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		7 ARG A 266
ILE A 267
ARG A 285
GLU A 539
ARG A 555
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 (-4.5A)
SIA  A1692 (-3.6A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.39A 6ekuA-2bf6A:
44.2		 6ekuA-2bf6A:
23.29
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) 		7 ARG A 266
ILE A 267
ASP A 328
GLU A 539
ARG A 555
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 (-4.5A)
SIA  A1692 (-2.9A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.67A 6ekuA-2bf6A:
44.2		 6ekuA-2bf6A:
23.29
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) 		7 ARG A  21
ILE A  22
GLU A  39
GLU A 218
ARG A 237
ARG A 304
TYR A 334
 None
 0.44A 6ekuA-2f28A:
39.8		 6ekuA-2f28A:
19.74
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 118
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 None
 0.47A 6ekuA-2htvA:
20.9		 6ekuA-2htvA:
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.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Lactococcus
lactis) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ARG A 401
ILE A 398
GLU A 227
ARG A 324
TYR A 402
 None
 1.32A 6ekuA-2iyoA:
undetectable		 6ekuA-2iyoA:
22.02
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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ILE A 715
GLU A 712
ARG A 313
ARG A 221
TYR A 612
 None
None
MGD  A 812 (-3.7A)
None
None
 1.40A 6ekuA-2jirA:
undetectable		 6ekuA-2jirA:
22.54
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) 		7 ARG A 347
ILE A 348
ARG A 366
GLU A 647
ARG A 663
ARG A 721
TYR A 752
 None
 0.45A 6ekuA-2w20A:
40.3		 6ekuA-2w20A:
22.83
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) 		7 ARG A 347
ILE A 348
ASP A 417
GLU A 647
ARG A 663
ARG A 721
TYR A 752
 None
 0.72A 6ekuA-2w20A:
40.3		 6ekuA-2w20A:
22.83
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) 		8 ARG A  59
ILE A  60
GLU A  76
ARG A  78
GLU A 249
ARG A 265
ARG A 322
TYR A 358
 KDM  A 500 (-2.7A)
None
KDM  A 500 ( 4.7A)
KDM  A 500 (-3.5A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 0.39A 6ekuA-2xziA:
36.8		 6ekuA-2xziA:
19.40
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.
2y0h PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ARG A 365
ILE A 367
GLU A 379
ARG A 381
ARG A 323
 None
 1.33A 6ekuA-2y0hA:
undetectable		 6ekuA-2y0hA:
20.13
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.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 118
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-2.9A)
ZMR  A 469 (-4.7A)
 0.31A 6ekuA-3ckzA:
11.7		 6ekuA-3ckzA:
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		5 ILE A 276
GLU A 277
ARG A 295
GLU A 279
ARG A 125
 None
 1.25A 6ekuA-3nztA:
undetectable		 6ekuA-3nztA:
20.80
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		7 ARG A  37
ILE A  38
ARG A  56
GLU A 231
ARG A 246
ARG A 309
TYR A 342
 PO4  A 499 (-2.7A)
None
None
GOL  A 402 (-3.3A)
PO4  A 499 (-2.7A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 0.46A 6ekuA-3silA:
36.6		 6ekuA-3silA:
19.90
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		6 ILE A  38
ASP A 100
GLU A 231
ARG A 246
ARG A 309
TYR A 342
 None
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)
 0.74A 6ekuA-3silA:
36.6		 6ekuA-3silA:
19.90
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.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 ARG A 120
ILE A 117
ASN A  23
ARG A 397
ASP A  49
 EPZ  A 501 (-4.1A)
QPA  A 115 ( 4.4A)
EPZ  A 501 (-3.1A)
QPA  A 115 ( 2.9A)
None
 1.28A 6ekuA-3swdA:
undetectable		 6ekuA-3swdA:
19.79
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.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 ARG A 120
ILE A 117
ASP A 369
ASN A  23
ASP A  49
 EPZ  A 501 (-4.1A)
QPA  A 115 ( 4.4A)
None
EPZ  A 501 (-3.1A)
None
 1.28A 6ekuA-3swdA:
undetectable		 6ekuA-3swdA:
19.79
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		5 ARG A 122
ILE A 119
ASN A  23
ARG A 399
ASP A  49
 EPZ  A 508 (-3.9A)
QPA  A 117 ( 4.4A)
EPZ  A 508 (-3.1A)
QPA  A 117 (-3.1A)
None
 1.27A 6ekuA-3sweA:
undetectable		 6ekuA-3sweA:
20.75
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		5 ARG A 122
ILE A 119
ASP A 371
ASN A  23
ASP A  49
 EPZ  A 508 (-3.9A)
QPA  A 117 ( 4.4A)
None
EPZ  A 508 (-3.1A)
None
 1.37A 6ekuA-3sweA:
undetectable		 6ekuA-3sweA:
20.75
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 118
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 LNV  A 901 (-3.0A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-2.8A)
LNV  A 901 (-2.9A)
LNV  A 901 (-4.8A)
 0.33A 6ekuA-3ti8A:
12.2		 6ekuA-3ti8A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 118
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.8A)
LNV  A 801 (-3.0A)
LNV  A 801 (-2.9A)
LNV  A 801 (-4.4A)
 0.34A 6ekuA-3tiaA:
5.7		 6ekuA-3tiaA:
20.91
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		5 ARG A 121
ILE A 118
ASN A  24
ARG A 398
ASP A  50
 PO4  A 502 (-3.0A)
None
UD1  A 501 (-3.3A)
FFQ  A 500 ( 3.0A)
None
 1.31A 6ekuA-3vcyA:
undetectable		 6ekuA-3vcyA:
19.74
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 GLU B 347
PRO B 350
ASN B 510
GLU B 153
ASP B 154
 F6R  B 701 (-3.2A)
None
None
F6R  B 701 (-3.8A)
None
 1.31A 6ekuA-3w0lB:
undetectable		 6ekuA-3w0lB:
22.21
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.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 118
GLU A 278
ARG A 293
ARG A 368
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.33A 6ekuA-4b7jA:
12.0		 6ekuA-4b7jA:
22.58
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		7 ARG A 204
ILE A 205
ARG A 223
GLU A 399
ARG A 415
ARG A 479
TYR A 510
 None
 0.49A 6ekuA-4bbwA:
43.0		 6ekuA-4bbwA:
23.37
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		7 ARG A 204
ILE A 205
ASP A 272
GLU A 399
ARG A 415
ARG A 479
TYR A 510
 None
 0.74A 6ekuA-4bbwA:
43.0		 6ekuA-4bbwA:
23.37
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 ARG A 115
GLU A 275
ARG A 291
ARG A 373
TYR A 408
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.8A)
ZMR  A 700 (-3.0A)
ZMR  A 700 (-4.6A)
 0.37A 6ekuA-4cpnA:
14.0		 6ekuA-4cpnA:
21.39
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		7 ARG A 200
ILE A 201
ARG A 219
GLU A 395
ARG A 411
ARG A 475
TYR A 506
 PO4  A 607 ( 2.6A)
None
GOL  A 604 ( 4.7A)
PO4  A 607 ( 4.8A)
PO4  A 607 (-2.7A)
PO4  A 607 (-2.8A)
PO4  A 607 (-4.6A)
 0.33A 6ekuA-4fj6A:
43.0		 6ekuA-4fj6A:
23.21
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		7 ARG A 200
ILE A 201
ASP A 268
GLU A 395
ARG A 411
ARG A 475
TYR A 506
 PO4  A 607 ( 2.6A)
None
None
PO4  A 607 ( 4.8A)
PO4  A 607 (-2.7A)
PO4  A 607 (-2.8A)
PO4  A 607 (-4.6A)
 0.72A 6ekuA-4fj6A:
43.0		 6ekuA-4fj6A:
23.21
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		6 ARG A 174
ILE A 175
GLU A 401
ARG A 416
ARG A 498
TYR A 526
 None
 0.91A 6ekuA-4fzhA:
24.5		 6ekuA-4fzhA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 118
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 ( 4.0A)
G39  A 509 (-2.8A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
 0.33A 6ekuA-4hzzA:
11.7		 6ekuA-4hzzA:
19.47
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 6 ARG D 163
ILE D 164
GLU D 390
ARG D 405
ARG D 495
TYR D 523
 SO4  D 608 ( 4.1A)
None
None
SO4  D 608 (-2.6A)
SO4  D 608 (-3.3A)
None
 0.68A 6ekuA-4jf7D:
24.1		 6ekuA-4jf7D:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 118
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.40A 6ekuA-4mjuA:
12.2		 6ekuA-4mjuA:
19.63
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) 		7 ARG A 220
ILE A 221
ARG A 239
GLU A 415
ARG A 431
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
None
EDO  A 604 (-4.3A)
None
None
None
None
 0.29A 6ekuA-4q6kA:
43.4		 6ekuA-4q6kA:
23.42
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		7 ARG A 220
ILE A 221
ASP A 288
GLU A 415
ARG A 431
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
None
EDO  A 607 (-3.1A)
None
None
None
None
 0.65A 6ekuA-4q6kA:
43.4		 6ekuA-4q6kA:
23.42
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.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A  36
GLU A 196
ARG A 211
ARG A 290
TYR A 324
 None
 0.39A 6ekuA-4qn3A:
11.9		 6ekuA-4qn3A:
19.56
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		7 ARG A 293
ILE A 294
ARG A 312
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 (-3.6A)
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.58A 6ekuA-4sliA:
39.7		 6ekuA-4sliA:
25.18
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 ILE A 294
ASP A 375
GLU A 595
ARG A 611
ARG A 673
TYR A 713
 CNP  A 760 (-4.5A)
CNP  A 760 (-2.8A)
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.77A 6ekuA-4sliA:
39.7		 6ekuA-4sliA:
25.18
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.
4uxi THYMIDINE KINASE

(Leishmania
major) 		PF00265
(TK) 		5 ARG A  27
GLU A  20
ARG A  23
GLU A   7
ARG A   5
 None
 1.20A 6ekuA-4uxiA:
undetectable		 6ekuA-4uxiA:
12.38
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) 		7 ARG A 257
ILE A 258
ARG A 276
GLU A 559
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
None
3XR  A 802 (-3.4A)
3XR  A 802 ( 4.7A)
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.44A 6ekuA-4x6kA:
35.2		 6ekuA-4x6kA:
22.88
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ILE A 258
ASP A 339
GLU A 559
ARG A 575
TYR A 677
 None
3XR  A 802 (-2.8A)
3XR  A 802 ( 4.7A)
3XR  A 802 (-2.6A)
3XR  A 802 (-4.2A)
 0.82A 6ekuA-4x6kA:
35.2		 6ekuA-4x6kA:
22.88
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		7 ARG A 245
ILE A 246
ARG A 264
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.43A 6ekuA-4xhbA:
21.0		 6ekuA-4xhbA:
24.44
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) 		7 ARG A 245
ILE A 246
ASP A 327
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-3.6A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.69A 6ekuA-4xhbA:
21.0		 6ekuA-4xhbA:
24.44
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) 		7 ARG A 290
ILE A 291
ARG A 309
GLU A 584
ARG A 600
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
None
G39  A 801 (-4.3A)
G39  A 801 ( 4.7A)
G39  A 801 (-2.9A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.48A 6ekuA-4yw5A:
37.1		 6ekuA-4yw5A:
25.52
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		6 ILE A 291
ASP A 372
GLU A 584
ARG A 600
ARG A 662
TYR A 695
 None
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)
 0.74A 6ekuA-4yw5A:
37.1		 6ekuA-4yw5A:
25.52
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.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		6 ARG A 180
ILE A 181
GLU A 407
ARG A 422
ARG A 512
TYR A 540
 SLT  A 606 (-2.6A)
None
SLT  A 606 (-3.8A)
SLT  A 606 (-3.0A)
SLT  A 606 (-2.8A)
SLT  A 606 (-4.7A)
 0.53A 6ekuA-5b2dA:
24.6		 6ekuA-5b2dA:
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.
5bq2 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
aeruginosa) 		PF00275
(EPSP_synthase) 		5 ARG A 122
ILE A 119
ASN A  23
ARG A 400
ASP A  49
 EPU  A 501 (-3.9A)
QPA  A 117 ( 3.9A)
EPU  A 501 (-3.1A)
QPA  A 117 ( 3.0A)
None
 1.34A 6ekuA-5bq2A:
undetectable		 6ekuA-5bq2A:
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.
5fux THYMDINE KINASE

(Trypanosoma
brucei) 		PF00265
(TK) 		5 ARG A 228
GLU A 221
ARG A 224
GLU A 208
ARG A 206
 None
 1.09A 6ekuA-5fuxA:
undetectable		 6ekuA-5fuxA:
14.21
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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN LARGE
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile) 		no annotation 5 ARG A 265
GLU B  20
ASP B  17
ASN A 142
ASP B 128
 None
 1.25A 6ekuA-5ol2A:
undetectable		 6ekuA-5ol2A:
18.37
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 ILE C2933
ARG C2922
PRO C2918
ASP C2937
ARG C3901
 None
 1.19A 6ekuA-5y3rC:
undetectable		 6ekuA-5y3rC:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 5 ARG A 118
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 E3M  A 511 (-3.0A)
E3M  A 511 ( 3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 (-2.9A)
E3M  A 511 (-4.5A)
 0.29A 6ekuA-6br6A:
21.0		 6ekuA-6br6A:
7.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 12 ARG A 250
ILE A 251
GLU A 269
ARG A 271
PRO A 277
ASP A 318
ASN A 344
GLU A 645
ARG A 661
ASP A 663
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-4.7A)
G39  A 908 ( 4.7A)
G39  A 908 (-4.2A)
G39  A 908 ( 4.4A)
G39  A 908 ( 4.2A)
G39  A 908 (-3.5A)
G39  A 908 (-4.0A)
G39  A 908 (-2.8A)
G39  A 908 (-3.8A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.30A 6ekuA-6eksA:
71.0		 6ekuA-6eksA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 5 ARG B 157
ASN B 739
GLU B 191
ASP B 745
TYR B 184
 None
 1.18A 6ekuA-6exvB:
undetectable		 6ekuA-6exvB:
6.67
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 5 ILE B 186
ASN B 716
GLU B 191
ARG B 460
TYR B 184
 None
 1.47A 6ekuA-6f42B:
undetectable		 6ekuA-6f42B:
6.92