SIMILAR PATTERNS OF AMINO ACIDS FOR 4CPZ_D_ZMRD1471

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.
1ct9 ASPARAGINE
SYNTHETASE B

(Escherichia
coli) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 ARG A 309
ARG A 498
GLU A 499
ALA A 511
GLU A 502
 None
 1.44A 4cpzD-1ct9A:
undetectable		 4cpzD-1ct9A:
21.89
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.
1dwu RIBOSOMAL PROTEIN L1

(Methanothermococcus
thermolithotrophicus) 		PF00687
(Ribosomal_L1) 		5 LEU A 119
GLU A  84
ALA A  95
GLU A  87
ASN A  91
 None
 1.49A 4cpzD-1dwuA:
undetectable		 4cpzD-1dwuA:
19.18
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.
1e6v METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLU C  75
LEU B 400
ARG C  71
ALA B 402
GLU C  65
 None
 1.44A 4cpzD-1e6vC:
undetectable		 4cpzD-1e6vC:
17.54
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.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		5 LEU A 321
ALA A  31
ARG A 337
ASN A  32
TYR A 328
 None
TPO  A 990 (-4.1A)
TPO  A 990 (-2.9A)
TPO  A 990 (-3.9A)
None
 1.44A 4cpzD-1lc7A:
undetectable		 4cpzD-1lc7A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  35
GLU A 230
ARG A 245
ARG A 314
TYR A 342
 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)
 0.96A 4cpzD-1ms8A:
23.5		 4cpzD-1ms8A:
20.85
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.
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
 0.48A 4cpzD-1mz5A:
24.2		 4cpzD-1mz5A:
22.34
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) 		10 ARG N 118
GLU N 119
ARG N 224
GLU N 227
ALA N 246
GLU N 276
GLU N 277
ARG N 292
ASN N 294
TYR N 406
 None
 0.74A 4cpzD-1nmbN:
17.9		 4cpzD-1nmbN:
30.78
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) 		10 ARG N 118
GLU N 119
ARG N 224
GLU N 227
ALA N 246
GLU N 277
ARG N 292
ASN N 294
ARG N 371
TYR N 406
 None
 0.66A 4cpzD-1nmbN:
17.9		 4cpzD-1nmbN:
30.78
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 4cpzD-1nmbN:
17.9		 4cpzD-1nmbN:
30.78
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 124
GLU A 125
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
 0.59A 4cpzD-1v0zA:
53.6		 4cpzD-1v0zA:
29.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		10 ARG A 116
GLU A 117
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 ( 4.5A)
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
 0.47A 4cpzD-1vcjA:
73.7		 4cpzD-1vcjA:
91.52
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) 		6 ARG A 116
GLU A 117
ARG A 223
GLU A 275
GLU A 276
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.9A)
None
 1.31A 4cpzD-1vcjA:
73.7		 4cpzD-1vcjA:
91.52
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
 1.28A 4cpzD-1vcjA:
73.7		 4cpzD-1vcjA:
91.52
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.
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)
 0.33A 4cpzD-1w8oA:
25.9		 4cpzD-1w8oA:
21.18
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.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 ARG A 119
GLU A 120
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)
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)
 0.61A 4cpzD-1xogA:
53.0		 4cpzD-1xogA:
28.16
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 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)
 1.19A 4cpzD-1xogA:
53.0		 4cpzD-1xogA:
28.16
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) 		6 GLU A 120
ARG A 226
GLU A 229
ALA A 248
GLU A 278
ASN A 296
 ABW  A1000 (-3.7A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 ( 4.0A)
 0.93A 4cpzD-1xogA:
53.0		 4cpzD-1xogA:
28.16
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)
 0.33A 4cpzD-2bf6A:
25.0		 4cpzD-2bf6A:
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.
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
 0.35A 4cpzD-2f28A:
12.5		 4cpzD-2f28A:
23.52
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.
2gfg BH2851

(Bacillus
halodurans) 		PF01928
(CYTH) 		5 ARG A 184
GLU A 149
GLU A 151
GLU A   6
GLU A   8
 EDO  A 503 (-4.2A)
EDO  A 503 (-3.0A)
UNL  A 500 ( 2.8A)
UNL  A 500 ( 3.9A)
EDO  A 503 ( 3.9A)
 1.42A 4cpzD-2gfgA:
undetectable		 4cpzD-2gfgA:
17.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 ARG A 118
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
 0.58A 4cpzD-2htvA:
51.6		 4cpzD-2htvA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 GLU A 119
ARG A 224
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 406
 None
 1.09A 4cpzD-2htvA:
51.6		 4cpzD-2htvA:
31.73
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.
2p1z PHOSPHORIBOSYLTRANSF
ERASE

(Corynebacterium
diphtheriae) 		PF00156
(Pribosyltran) 		5 LEU A 174
GLU A   9
ALA A  15
GLU A  13
ARG A  43
 None
 1.49A 4cpzD-2p1zA:
undetectable		 4cpzD-2p1zA:
16.42
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.
2q0z PROTEIN PRO2281

(Homo sapiens) 		PF02889
(Sec63) 		5 GLU X 211
LEU X 277
ARG X 236
GLU X 237
GLU X 238
 None
 1.45A 4cpzD-2q0zX:
undetectable		 4cpzD-2q0zX:
22.45
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 ARG A 328
GLU A 229
ARG A 321
ASN A 266
TYR A 325
 None
 1.39A 4cpzD-2qveA:
undetectable		 4cpzD-2qveA:
22.94
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.
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
 1.43A 4cpzD-2rhqB:
undetectable		 4cpzD-2rhqB:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLU A  90
ALA A 418
GLU A  58
ASN A 421
ARG A 221
 None
 1.09A 4cpzD-2vbiA:
undetectable		 4cpzD-2vbiA:
21.89
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) 		5 ARG A 347
GLU A 647
ARG A 663
ARG A 721
TYR A 752
 None
 0.39A 4cpzD-2w20A:
12.8		 4cpzD-2w20A:
21.90
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ARG A 347
LEU A 598
GLU A 647
ARG A 663
TYR A 752
 None
 0.81A 4cpzD-2w20A:
12.8		 4cpzD-2w20A:
21.90
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.
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)
 0.26A 4cpzD-2xziA:
12.7		 4cpzD-2xziA:
21.68
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.
2y0e UDP-GLUCOSE
DEHYDROGENASE

(Burkholderia
cepacia) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 LEU A 100
GLU A 136
ALA A 102
GLU A 137
ASN A 105
 None
 1.29A 4cpzD-2y0eA:
undetectable		 4cpzD-2y0eA:
23.54
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.
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
 1.10A 4cpzD-2yw2A:
undetectable		 4cpzD-2yw2A:
23.21
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) 		10 ARG A 118
GLU A 119
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 (-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)
 0.45A 4cpzD-3ckzA:
53.3		 4cpzD-3ckzA:
32.40
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.
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
 1.34A 4cpzD-3fvcA:
undetectable		 4cpzD-3fvcA:
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.
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
 1.23A 4cpzD-3lp8A:
undetectable		 4cpzD-3lp8A:
22.05
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ARG A  41
GLU A 178
GLU A 176
ASN A 182
ARG A 380
 None
ZN  A 451 (-2.0A)
None
None
None
 1.37A 4cpzD-3pfoA:
undetectable		 4cpzD-3pfoA:
21.82
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.
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)
 0.46A 4cpzD-3silA:
23.5		 4cpzD-3silA:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
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 (-4.1A)
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)
 0.39A 4cpzD-3ti8A:
53.7		 4cpzD-3ti8A:
32.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
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 (-4.2A)
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)
 0.43A 4cpzD-3tiaA:
55.0		 4cpzD-3tiaA:
30.32
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
 1.07A 4cpzD-3zieA:
undetectable		 4cpzD-3zieA:
14.00
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.
4awd BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 5 ARG A  76
GLU A 284
GLU A 178
ASN A 203
TYR A 286
 GOL  A1322 (-3.9A)
GOL  A1322 (-2.6A)
GOL  A1322 ( 3.7A)
None
None
 1.39A 4cpzD-4awdA:
undetectable		 4cpzD-4awdA:
21.70
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) 		8 ARG A 118
GLU A 119
ARG A 225
GLU A 228
GLU A 277
GLU A 278
ASN A 295
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 ( 3.7A)
G39  A1470 (-4.5A)
 0.71A 4cpzD-4b7jA:
52.7		 4cpzD-4b7jA:
33.95
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) 		9 ARG A 118
GLU A 119
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)
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)
 0.51A 4cpzD-4b7jA:
52.7		 4cpzD-4b7jA:
33.95
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ARG A 204
GLU A 399
ARG A 415
ARG A 479
TYR A 510
 None
 0.59A 4cpzD-4bbwA:
25.1		 4cpzD-4bbwA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		11 ARG A 115
GLU A 116
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 (-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)
 0.24A 4cpzD-4cpnA:
75.5		 4cpzD-4cpnA:
98.50
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.
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)
 0.40A 4cpzD-4fj6A:
25.0		 4cpzD-4fj6A:
23.02
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 ARG A 174
GLU A 401
ARG A 416
ARG A 498
TYR A 526
 None
 0.71A 4cpzD-4fzhA:
23.1		 4cpzD-4fzhA:
22.59
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.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 ARG A 118
GLU A 119
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)
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)
 0.46A 4cpzD-4h53A:
54.6		 4cpzD-4h53A:
28.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 371
ARG A 224
ALA A 246
GLU A 276
GLU A 277
 SLB  A 512 (-2.9A)
SLB  A 512 (-4.2A)
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
 1.27A 4cpzD-4h53A:
54.6		 4cpzD-4h53A:
28.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ARG A 416
GLU A 412
LEU A 405
ARG A 411
ALA A 454
 None
 1.47A 4cpzD-4ha6A:
undetectable		 4cpzD-4ha6A:
23.44
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) 		8 ARG A 118
GLU A 119
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)
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)
 0.67A 4cpzD-4hzzA:
52.1		 4cpzD-4hzzA:
30.42
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 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)
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)
 0.49A 4cpzD-4hzzA:
52.1		 4cpzD-4hzzA:
30.42
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) 		8 GLU A 119
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)
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)
 1.00A 4cpzD-4hzzA:
52.1		 4cpzD-4hzzA:
30.42
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.
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
 0.81A 4cpzD-4jf7D:
22.3		 4cpzD-4jf7D:
21.83
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 ARG A 118
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ASN A 294
TYR A 406
 27S  A 501 (-3.0A)
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 (-3.6A)
27S  A 501 (-4.6A)
 0.72A 4cpzD-4mjuA:
51.9		 4cpzD-4mjuA:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 ARG A 118
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
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)
 0.53A 4cpzD-4mjuA:
51.9		 4cpzD-4mjuA:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 GLU A 119
ARG A 224
ALA A 246
GLU A 276
GLU A 277
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 (-3.6A)
27S  A 501 (-4.6A)
 1.20A 4cpzD-4mjuA:
51.9		 4cpzD-4mjuA:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 GLU A 119
ARG A 224
ALA A 246
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 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.6A)
27S  A 501 (-4.6A)
 1.09A 4cpzD-4mjuA:
51.9		 4cpzD-4mjuA:
31.39
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.
4mv3 BIOTIN CARBOXYLASE

(Haemophilus
influenzae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ARG A 338
GLU A 241
LEU A 308
ALA A 272
GLU A 211
 BCT  A 503 (-3.5A)
None
None
None
None
 1.30A 4cpzD-4mv3A:
undetectable		 4cpzD-4mv3A:
20.81
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.
4n5f PUTATIVE ACYL-COA
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ARG A  17
GLU A  75
ALA A 289
ARG A 296
ASN A 293
 None
 1.40A 4cpzD-4n5fA:
undetectable		 4cpzD-4n5fA:
20.37
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.
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
 0.36A 4cpzD-4q6kA:
24.9		 4cpzD-4q6kA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A  36
GLU A  37
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
 0.60A 4cpzD-4qn3A:
53.3		 4cpzD-4qn3A:
28.36
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)
 1.08A 4cpzD-4sliA:
25.0		 4cpzD-4sliA:
22.57
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.
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)
 0.53A 4cpzD-4sliA:
25.0		 4cpzD-4sliA:
22.57
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.
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
 1.14A 4cpzD-4txkA:
undetectable		 4cpzD-4txkA:
21.28
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.
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)
 1.12A 4cpzD-4x6kA:
21.3		 4cpzD-4x6kA:
22.89
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.24A 4cpzD-4xhbA:
22.6		 4cpzD-4xhbA:
21.67
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.37A 4cpzD-4xhbA:
22.6		 4cpzD-4xhbA:
21.67
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.
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)
 0.35A 4cpzD-4yw5A:
24.0		 4cpzD-4yw5A:
22.01
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 GLU A 479
ARG A 401
GLU A 484
ALA A 409
ASN A 410
 None
 1.42A 4cpzD-4z11A:
undetectable		 4cpzD-4z11A:
21.45
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 222
GLU A 214
GLU A 492
ARG A 166
TYR A 429
 None
None
TRS  A1920 (-2.9A)
GOL  A1922 (-2.8A)
ACT  A1923 ( 4.2A)
 1.07A 4cpzD-5a7mA:
undetectable		 4cpzD-5a7mA:
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.
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)
 0.48A 4cpzD-5b2dA:
22.4		 4cpzD-5b2dA:
21.40
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.
5bp8 ENT-COPALYL
DIPHOSPHATE SYNTHASE

(Streptomyces
platensis) 		PF00432
(Prenyltrans)
PF13243
(SQHop_cyclase_C) 		5 ARG A 203
GLU A  85
LEU A  59
GLU A  90
ARG A  93
 None
 1.27A 4cpzD-5bp8A:
undetectable		 4cpzD-5bp8A:
22.82
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.
5cwq DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 LEU A 164
GLU A 125
ALA A 168
GLU A 121
ASN A 173
 None
 1.50A 4cpzD-5cwqA:
undetectable		 4cpzD-5cwqA:
17.23
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.
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
 1.32A 4cpzD-5czzA:
undetectable		 4cpzD-5czzA:
18.15
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.
5hjz ENDORIBONUCLEASE
MAZF9

(Mycobacterium
tuberculosis) 		PF02452
(PemK_toxin) 		5 GLU A  81
LEU A  12
ARG A  84
ALA A  15
GLU A  19
 U  C   4 ( 3.8A)
None
None
None
None
 1.42A 4cpzD-5hjzA:
undetectable		 4cpzD-5hjzA:
12.18
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.
5ig0 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF08332
(CaMKII_AD) 		5 GLU A 383
GLU A 385
ALA A 364
ARG A 433
ARG A 452
 SO4  A 501 (-3.6A)
GOL  A 502 (-2.5A)
None
SO4  A 501 ( 3.8A)
SO4  A 501 (-2.9A)
 1.49A 4cpzD-5ig0A:
2.7		 4cpzD-5ig0A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 GLU A 286
LEU A 349
ALA A 340
ASN A 295
ARG A 390
 None
 1.43A 4cpzD-5jxkA:
undetectable		 4cpzD-5jxkA:
19.72
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		5 ALA A 219
GLU A 151
GLU A 110
ARG A  76
ASN A 253
 None
 1.38A 4cpzD-5u22A:
undetectable		 4cpzD-5u22A:
22.77
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.
5v1s RADICAL SAM

(Streptococcus
suis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		5 GLU A 176
LEU A 144
ALA A 137
GLU A 177
ASN A 170
 None
 1.46A 4cpzD-5v1sA:
undetectable		 4cpzD-5v1sA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.16A 4cpzD-5y7iA:
undetectable		 4cpzD-5y7iA:
9.66
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 11 ARG A 118
GLU A 119
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)
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)
 0.50A 4cpzD-6br6A:
54.2		 4cpzD-6br6A:
9.01
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 6 ARG A 371
ARG A 224
ALA A 246
GLU A 276
GLU A 277
TYR A 406
 E3M  A 511 (-2.9A)
E3M  A 511 (-3.8A)
E3M  A 511 (-3.1A)
E3M  A 511 (-2.3A)
E3M  A 511 ( 3.6A)
E3M  A 511 (-4.5A)
 1.47A 4cpzD-6br6A:
54.2		 4cpzD-6br6A:
9.01
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)
 0.34A 4cpzD-6eksA:
13.8		 4cpzD-6eksA:
20.31
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
LEU A 606
GLU A 645
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
None
G39  A 908 (-4.0A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 1.24A 4cpzD-6eksA:
13.8		 4cpzD-6eksA:
20.31
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3
SPLICING FACTOR 3B
SUBUNIT 5

(Homo sapiens) 		no annotation 5 ARG A 283
GLU B  59
LEU B  50
GLU B  57
ARG A 429
 None
 1.48A 4cpzD-6en4A:
10.5		 4cpzD-6en4A:
10.70
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.
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
 1.30A 4cpzD-6es9A:
undetectable		 4cpzD-6es9A:
8.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP N 151
ARG N 152
ARG N 156
TRP N 178
 None
 0.72A 4cpzD-1nmbN:
17.9		 4cpzD-1nmbN:
30.78
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 157
ARG A 158
ARG A 162
TRP A 185
 None
 0.16A 4cpzD-1v0zA:
53.6		 4cpzD-1v0zA:
29.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		4 ASP A 149
ARG A 150
ARG A 154
TRP A 177
 IBA  A   1 (-3.6A)
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
None
 0.58A 4cpzD-1vcjA:
73.7		 4cpzD-1vcjA:
91.52
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.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 152
ARG A 153
ARG A 157
TRP A 180
 ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
 0.45A 4cpzD-1xogA:
53.0		 4cpzD-1xogA:
28.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
ARG A 152
ARG A 156
TRP A 178
 ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
None
 0.74A 4cpzD-3ckzA:
53.3		 4cpzD-3ckzA:
32.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
ARG A 152
ARG A 156
TRP A 178
 LNV  A 901 (-3.4A)
LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
None
 0.13A 4cpzD-3ti8A:
53.7		 4cpzD-3ti8A:
32.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
ARG A 152
ARG A 156
TRP A 178
 LNV  A 801 (-3.4A)
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
None
 0.14A 4cpzD-3tiaA:
55.0		 4cpzD-3tiaA:
30.32
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) 		4 ASP A 151
ARG A 152
ARG A 156
TRP A 179
 G39  A1470 (-3.7A)
G39  A1470 (-3.9A)
None
None
 0.16A 4cpzD-4b7jA:
52.7		 4cpzD-4b7jA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		4 ASP A 148
ARG A 149
ARG A 153
TRP A 176
 ZMR  A 700 (-3.3A)
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
None
 0.13A 4cpzD-4cpnA:
75.5		 4cpzD-4cpnA:
98.50
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.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
ARG A 152
ARG A 156
TRP A 178
 SLB  A 512 (-3.5A)
SLB  A 512 (-3.8A)
None
None
 0.17A 4cpzD-4h53A:
54.8		 4cpzD-4h53A:
28.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
ARG A 152
ARG A 156
TRP A 178
 G39  A 509 (-3.6A)
G39  A 509 (-3.9A)
None
None
 0.15A 4cpzD-4hzzA:
52.0		 4cpzD-4hzzA:
30.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
ARG A 152
ARG A 156
TRP A 178
 27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
None
None
 0.80A 4cpzD-4mjuA:
51.9		 4cpzD-4mjuA:
31.39
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.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A  69
ARG A  70
ARG A  74
TRP A  97
 None
 0.28A 4cpzD-4qn3A:
53.3		 4cpzD-4qn3A:
28.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 4 ASP A 151
ARG A 152
ARG A 156
TRP A 178
 E3M  A 511 (-2.9A)
E3M  A 511 (-3.8A)
None
None
 0.23A 4cpzD-6br6A:
54.2		 4cpzD-6br6A:
9.01