SIMILAR PATTERNS OF AMINO ACIDS FOR 2F10_A_BCZA382_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 ILE A 175
TYR A 317
GLU A 401
ARG A 416
TYR A 526
 None
 0.66A 2f10A-1e8tA:
28.0		 2f10A-1e8tA:
21.99
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.
1js1 TRANSCARBAMYLASE

(Bacteroides
fragilis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ARG X  27
ILE X 304
ASN X 301
TYR X 161
GLU X 160
 None
 1.23A 2f10A-1js1X:
undetectable		 2f10A-1js1X:
21.43
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.
1js1 TRANSCARBAMYLASE

(Bacteroides
fragilis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE X 304
ARG X  27
ASN X 301
TYR X 161
GLU X 160
 None
 1.39A 2f10A-1js1X:
undetectable		 2f10A-1js1X:
21.43
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 ILE A 184
GLU A 148
TYR A 280
LEU A 281
TYR A 247
 CO3  A 902 ( 4.5A)
CO3  A 902 ( 3.4A)
None
None
10A  A 901 ( 4.3A)
 1.12A 2f10A-1kpiA:
undetectable		 2f10A-1kpiA:
22.69
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		6 ARG A  35
ARG A  53
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 (-2.8A)
DAN  A 700 (-3.0A)
DAN  A 700 (-3.5A)
 0.85A 2f10A-1ms8A:
36.6		 2f10A-1ms8A:
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		8 ARG A  36
ILE A  37
ARG A  54
MET A  96
GLU A 231
ARG A 246
ARG A 315
TYR A 343
 None
 0.60A 2f10A-1mz5A:
37.3		 2f10A-1mz5A:
20.74
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.
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
 0.61A 2f10A-1nmbN:
8.5		 2f10A-1nmbN:
22.71
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 124
GLU A 284
ARG A 299
ARG A 378
TYR A 412
 None
 0.52A 2f10A-1v0zA:
8.2		 2f10A-1v0zA:
21.44
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.
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
 0.45A 2f10A-1vcjA:
25.6		 2f10A-1vcjA:
23.44
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.
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)
 0.42A 2f10A-1w8oA:
43.2		 2f10A-1w8oA:
23.23
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.
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)
 0.53A 2f10A-1xogA:
8.0		 2f10A-1xogA:
21.92
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 157
GLU A 279
ARG A 294
ARG A 372
TYR A 406
 ABW  A1000 (-4.2A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.84A 2f10A-1xogA:
8.0		 2f10A-1xogA:
21.92
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) 		8 ARG A 266
ILE A 267
ARG A 285
TYR A 485
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 (-4.7A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.57A 2f10A-2bf6A:
43.1		 2f10A-2bf6A:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		5 GLU A 265
ASN A 259
LEU A 247
GLU A 251
ARG A 269
 None
 1.31A 2f10A-2e3zA:
undetectable		 2f10A-2e3zA:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f28 SIALIDASE 2

(Homo sapiens) 		PF13088
(BNR_2) 		11 ARG A  21
ILE A  22
GLU A  39
MET A  85
ASN A  86
TYR A 179
LEU A 217
GLU A 218
ARG A 237
ARG A 304
TYR A 334
 None
 0.46A 2f10A-2f28A:
59.9		 2f10A-2f28A:
99.74
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		5 GLU A  81
ASN A 135
LEU A 199
GLU A 134
ARG A 203
 None
 1.44A 2f10A-2h1nA:
undetectable		 2f10A-2h1nA:
22.64
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 118
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 None
 0.42A 2f10A-2htvA:
3.1		 2f10A-2htvA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 156
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 None
 0.91A 2f10A-2htvA:
3.1		 2f10A-2htvA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 2f10A-2iyoA:
undetectable		 2f10A-2iyoA:
20.89
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) 		8 ARG A 347
ILE A 348
ARG A 366
TYR A 590
GLU A 647
ARG A 663
ARG A 721
TYR A 752
 None
 0.56A 2f10A-2w20A:
41.8		 2f10A-2w20A:
23.72
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa) 		PF13088
(BNR_2) 		5 ARG A  78
GLU A 182
ARG A 198
ARG A 260
TYR A 297
 None
 1.42A 2f10A-2w38A:
30.2		 2f10A-2w38A:
22.91
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa) 		PF13088
(BNR_2) 		5 TYR A 146
GLU A 182
ARG A 198
ARG A 260
TYR A 297
 None
 0.74A 2f10A-2w38A:
30.2		 2f10A-2w38A:
22.91
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		9 ARG A  59
ILE A  60
GLU A  76
ARG A  78
ASN A 124
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 ( 4.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 0.55A 2f10A-2xziA:
37.1		 2f10A-2xziA:
26.46
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.
2y0h PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ARG A 365
ILE A 367
GLU A 379
ARG A 381
ARG A 323
 None
 1.29A 2f10A-2y0hA:
undetectable		 2f10A-2y0hA:
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 GLU A  81
ASN A 135
LEU A 199
GLU A 134
ARG A 203
 None
 1.48A 2f10A-3ahmA:
undetectable		 2f10A-3ahmA:
21.15
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.
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)
 0.45A 2f10A-3ckzA:
8.2		 2f10A-3ckzA:
22.51
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		5 ARG B 300
ILE B 229
TYR B  78
ARG B 370
TYR B 302
 None
 1.42A 2f10A-3o0rB:
undetectable		 2f10A-3o0rB:
21.03
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.
3rqz METALLOPHOSPHOESTERA
SE

(Sphaerobacter
thermophilus) 		PF12850
(Metallophos_2) 		5 ASN A  61
TYR A 124
ARG A 192
ARG A 238
TYR A  38
 ZN  A 302 (-3.3A)
None
None
None
None
 1.35A 2f10A-3rqzA:
undetectable		 2f10A-3rqzA:
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		8 ARG A  37
ILE A  38
ARG A  56
MET A  99
GLU A 231
ARG A 246
ARG A 309
TYR A 342
 PO4  A 499 (-2.7A)
None
None
GOL  A 403 (-3.5A)
GOL  A 402 (-3.3A)
PO4  A 499 (-2.7A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 0.63A 2f10A-3silA:
36.3		 2f10A-3silA:
24.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.45A 2f10A-3ti8A:
11.0		 2f10A-3ti8A:
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.
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)
 0.44A 2f10A-3tiaA:
9.9		 2f10A-3tiaA:
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.
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)
 0.47A 2f10A-4b7jA:
9.5		 2f10A-4b7jA:
23.50
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
 0.50A 2f10A-4bbwA:
40.8		 2f10A-4bbwA:
21.53
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)
 0.42A 2f10A-4cpnA:
25.7		 2f10A-4cpnA:
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.
4d3y LEGUMAIN

(Cricetulus
griseus) 		PF01650
(Peptidase_C13) 		5 ASN A 241
LEU A 301
GLU A 244
ARG A  94
TYR A 225
 None
 1.34A 2f10A-4d3yA:
undetectable		 2f10A-4d3yA:
20.59
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.
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)
 0.46A 2f10A-4fj6A:
41.0		 2f10A-4fj6A:
23.76
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		7 ARG A 174
ILE A 175
TYR A 317
GLU A 401
ARG A 416
ARG A 498
TYR A 526
 None
 0.95A 2f10A-4fzhA:
27.4		 2f10A-4fzhA:
23.57
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)
 0.40A 2f10A-4hzzA:
8.4		 2f10A-4hzzA:
20.18
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 7 ARG D 163
ILE D 164
TYR D 306
GLU D 390
ARG D 405
ARG D 495
TYR D 523
 SO4  D 608 ( 4.1A)
None
None
None
SO4  D 608 (-2.6A)
SO4  D 608 (-3.3A)
None
 0.70A 2f10A-4jf7D:
27.3		 2f10A-4jf7D:
21.93
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.
4kxr PPE41
ESPG5

(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		PF00823
(PPE)
PF14011
(ESX-1_EspG) 		5 ARG C  34
GLU C 115
ARG C 117
LEU B 119
ARG B 113
 None
 1.32A 2f10A-4kxrC:
undetectable		 2f10A-4kxrC:
21.79
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.
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)
 0.41A 2f10A-4mjuA:
9.1		 2f10A-4mjuA:
21.59
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.
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
 0.45A 2f10A-4q6kA:
41.0		 2f10A-4q6kA:
23.13
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.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A  36
GLU A 196
ARG A 211
ARG A 290
TYR A 324
 None
 0.49A 2f10A-4qn3A:
8.3		 2f10A-4qn3A:
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		8 ARG A 293
ILE A 294
ARG A 312
TYR A 561
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)
None
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.64A 2f10A-4sliA:
38.4		 2f10A-4sliA:
21.26
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.
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 2f10A-4uxiA:
undetectable		 2f10A-4uxiA:
18.70
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		8 ARG A 257
ILE A 258
ARG A 276
TYR A 525
GLU A 559
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
None
3XR  A 802 (-3.4A)
None
3XR  A 802 ( 4.7A)
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.69A 2f10A-4x6kA:
36.3		 2f10A-4x6kA:
24.71
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		8 ARG A 245
ILE A 246
ARG A 264
TYR A 509
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.50A 2f10A-4xhbA:
36.7		 2f10A-4xhbA:
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		8 ARG A 290
ILE A 291
ARG A 309
TYR A 553
GLU A 584
ARG A 600
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
None
G39  A 801 (-4.3A)
None
G39  A 801 ( 4.7A)
G39  A 801 (-2.9A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.59A 2f10A-4yw5A:
37.2		 2f10A-4yw5A:
21.14
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.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		7 ARG A 180
ILE A 181
TYR A 323
GLU A 407
ARG A 422
ARG A 512
TYR A 540
 SLT  A 606 (-2.6A)
None
SLT  A 606 (-4.6A)
SLT  A 606 (-3.8A)
SLT  A 606 (-3.0A)
SLT  A 606 (-2.8A)
SLT  A 606 (-4.7A)
 0.64A 2f10A-5b2dA:
27.4		 2f10A-5b2dA:
22.66
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.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		5 GLU A 476
ARG A 555
ASN A 519
GLU A 365
TYR A 558
 None
 1.46A 2f10A-5dsyA:
undetectable		 2f10A-5dsyA:
22.00
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 5 ILE A 268
GLU A 239
TYR A 350
LEU A 351
TYR A 317
 LOP  A 402 ( 3.5A)
LOP  A 402 ( 2.6A)
LOP  A 402 (-4.0A)
None
LOP  A 402 ( 3.7A)
 1.08A 2f10A-6bqcA:
undetectable		 2f10A-6bqcA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 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)
 0.38A 2f10A-6br6A:
8.4		 2f10A-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 8 ARG A 250
ILE A 251
GLU A 269
ARG A 271
GLU A 645
ARG A 661
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 (-4.0A)
G39  A 908 (-2.8A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.43A 2f10A-6eksA:
39.4		 2f10A-6eksA:
19.82
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.
6eqi SERINE/THREONINE-PRO
TEIN KINASE PINK1,
PUTATIVE

(Pediculus
humanus) 		no annotation 5 ARG C 274
ILE C 275
ASN C 263
TYR C 174
LEU C 161
 None
 1.15A 2f10A-6eqiC:
undetectable		 2f10A-6eqiC:
22.20