SIMILAR PATTERNS OF AMINO ACIDS FOR 4I00_A_ZMRA509

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
 1.32A 4i00A-1ct9A:
undetectable		 4i00A-1ct9A:
20.43
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.
1ecx AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00266
(Aminotran_5) 		5 ARG A 249
GLU A 252
ALA A 261
GLU A 256
ARG A  16
 None
 1.47A 4i00A-1ecxA:
undetectable		 4i00A-1ecxA:
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		6 ARG A  35
ASP A  59
GLU A 230
ARG A 245
ARG A 314
TYR A 342
 DAN  A 700 (-3.0A)
DAN  A 700 (-2.7A)
DAN  A 700 (-3.3A)
DAN  A 700 (-2.8A)
DAN  A 700 (-3.0A)
DAN  A 700 (-3.5A)
 0.92A 4i00A-1ms8A:
2.3		 4i00A-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) 		6 ARG A  36
ASP A  60
GLU A 231
ARG A 246
ARG A 315
TYR A 343
 None
 0.64A 4i00A-1mz5A:
11.3		 4i00A-1mz5A:
20.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG N 118
GLU N 119
ASP N 151
ARG N 152
ARG N 224
GLU N 227
ALA N 246
GLU N 276
GLU N 277
ARG N 292
TYR N 406
 None
 0.80A 4i00A-1nmbN:
62.7		 4i00A-1nmbN:
40.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG N 118
GLU N 119
ASP N 151
ARG N 152
ARG N 224
GLU N 227
ALA N 246
GLU N 277
ARG N 292
ARG N 371
TYR N 406
 None
 0.73A 4i00A-1nmbN:
62.7		 4i00A-1nmbN:
40.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 ARG A 354
ASP A 683
ALA A 703
GLU A 372
ARG A 375
 None
 1.09A 4i00A-1o94A:
undetectable		 4i00A-1o94A:
18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 ARG A 124
GLU A 125
ASP A 157
ARG A 158
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
ARG A 378
TYR A 412
 None
 0.55A 4i00A-1v0zA:
63.7		 4i00A-1v0zA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		11 ARG A 116
GLU A 117
ASP A 149
ARG A 150
ARG A 223
GLU A 226
ALA A 245
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 (-3.6A)
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 (-3.2A)
None
 0.65A 4i00A-1vcjA:
52.3		 4i00A-1vcjA:
34.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		8 ARG A 116
GLU A 117
ASP A 149
ARG A 150
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 (-3.6A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.9A)
None
 1.19A 4i00A-1vcjA:
52.3		 4i00A-1vcjA:
34.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		5 ARG A  68
GLU A 260
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
GOL  A1651 (-3.6A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.41A 4i00A-1w8oA:
4.2		 4i00A-1w8oA:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 119
GLU A 120
ASP A 152
ARG A 153
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ARG A 372
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.49A 4i00A-1xogA:
62.9		 4i00A-1xogA:
47.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 153
ARG A 226
GLU A 229
ALA A 248
GLU A 278
 ABW  A1000 (-4.1A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
 0.93A 4i00A-1xogA:
62.9		 4i00A-1xogA:
47.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		5 ARG A  55
GLU A 167
ALA A 173
GLU A 166
ARG A 253
 None
 1.43A 4i00A-1y4jA:
undetectable		 4i00A-1y4jA:
20.84
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		6 ARG A 266
ASP A 291
GLU A 539
ARG A 555
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 (-2.8A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.49A 4i00A-2bf6A:
21.7		 4i00A-2bf6A:
21.91
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.
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
 0.39A 4i00A-2f28A:
21.2		 4i00A-2f28A:
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.
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)
 1.48A 4i00A-2gfgA:
undetectable		 4i00A-2gfgA:
17.45
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 152
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 None
 0.63A 4i00A-2htvA:
62.7		 4i00A-2htvA:
46.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 ARG A 118
ASP A 151
GLU A 227
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 None
 0.58A 4i00A-2htvA:
62.7		 4i00A-2htvA:
46.08
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 152
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 None
 1.06A 4i00A-2htvA:
62.7		 4i00A-2htvA:
46.08
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.
2qni UNCHARACTERIZED
PROTEIN ATU0299

(Agrobacterium
fabrum) 		PF00300
(His_Phos_1) 		5 ARG A  52
GLU A  51
ALA A 213
GLU A 215
GLU A  55
 None
 1.38A 4i00A-2qniA:
undetectable		 4i00A-2qniA:
17.69
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		6 ARG A 347
ASP A 372
GLU A 647
ARG A 663
ARG A 721
TYR A 752
 None
 0.60A 4i00A-2w20A:
5.9		 4i00A-2w20A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		6 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
 KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 0.46A 4i00A-2xziA:
11.3		 4i00A-2xziA:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.9A)
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 (-2.9A)
ZMR  A 469 (-4.7A)
 0.30A 4i00A-3ckzA:
64.4		 4i00A-3ckzA:
46.70
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.
3ln6 GLUTATHIONE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
GSHAB

(Streptococcus
agalactiae) 		PF01071
(GARS_A)
PF04262
(Glu_cys_ligase) 		5 GLU A 626
ARG A 614
ALA A 590
GLU A 631
ARG A 655
 None
 1.28A 4i00A-3ln6A:
undetectable		 4i00A-3ln6A:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		6 ARG A  37
ASP A  62
GLU A 231
ARG A 246
ARG A 309
TYR A 342
 PO4  A 499 (-2.7A)
GOL  A 403 ( 3.4A)
GOL  A 402 (-3.3A)
PO4  A 499 (-2.7A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 0.76A 4i00A-3silA:
19.7		 4i00A-3silA:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.6A)
LNV  A 901 (-3.4A)
LNV  A 901 (-4.0A)
LNV  A 901 (-4.1A)
LNV  A 901 (-3.4A)
LNV  A 901 (-3.5A)
LNV  A 901 (-2.9A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-2.8A)
LNV  A 901 (-2.9A)
LNV  A 901 (-4.8A)
 0.38A 4i00A-3ti8A:
65.2		 4i00A-3ti8A:
45.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-3.9A)
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 (-2.9A)
LNV  A 801 (-4.4A)
 0.41A 4i00A-3tiaA:
65.4		 4i00A-3tiaA:
45.57
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.
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
 1.12A 4i00A-3zieA:
undetectable		 4i00A-3zieA:
12.91
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
ASP A 151
ARG A 152
ARG A 225
GLU A 228
GLU A 277
GLU A 278
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.7A)
G39  A1470 (-3.9A)
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-4.5A)
 0.59A 4i00A-4b7jA:
64.0		 4i00A-4b7jA:
40.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 225
GLU A 228
GLU A 278
ARG A 293
ARG A 368
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
G39  A1470 (-3.7A)
G39  A1470 (-3.9A)
G39  A1470 (-4.4A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.42A 4i00A-4b7jA:
64.0		 4i00A-4b7jA:
40.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 223
GLU A 278
ARG A 293
ARG A 368
TYR A 402
 G39  A1470 (-4.0A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 1.08A 4i00A-4b7jA:
64.0		 4i00A-4b7jA:
40.42
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ARG A 204
ASP A 229
GLU A 399
ARG A 415
TYR A 510
 None
 0.83A 4i00A-4bbwA:
21.5		 4i00A-4bbwA:
21.42
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.
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
 0.64A 4i00A-4bbwA:
21.5		 4i00A-4bbwA:
21.42
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) 		12 ARG A 115
GLU A 116
ASP A 148
ARG A 149
ARG A 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
ARG A 291
ARG A 373
TYR A 408
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.3A)
ZMR  A 700 (-4.0A)
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 (-3.0A)
ZMR  A 700 (-4.6A)
 0.43A 4i00A-4cpnA:
53.1		 4i00A-4cpnA:
30.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		6 ARG A 200
ASP A 225
GLU A 395
ARG A 411
ARG A 475
TYR A 506
 PO4  A 607 ( 2.6A)
PO4  A 607 ( 3.8A)
PO4  A 607 ( 4.8A)
PO4  A 607 (-2.7A)
PO4  A 607 (-2.8A)
PO4  A 607 (-4.6A)
 0.56A 4i00A-4fj6A:
21.4		 4i00A-4fj6A:
20.90
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.
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
 0.68A 4i00A-4fzhA:
12.3		 4i00A-4fzhA:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
SLB  A 512 (-3.5A)
SLB  A 512 (-3.8A)
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 (-2.9A)
 0.45A 4i00A-4h53A:
65.5		 4i00A-4h53A:
53.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 GLU A 227
ARG A 152
ALA A 246
GLU A 276
ARG A 292
 None
SLB  A 512 (-3.8A)
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-3.1A)
 1.49A 4i00A-4h53A:
65.5		 4i00A-4h53A:
53.18
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.
4hxt DE NOVO PROTEIN
OR329

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 108
ARG A  66
GLU A 101
ALA A  27
GLU A  63
 None
 1.37A 4i00A-4hxtA:
undetectable		 4i00A-4hxtA:
18.81
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) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 152
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 (-3.6A)
G39  A 509 (-3.9A)
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)
 0.45A 4i00A-4hzzA:
75.2		 4i00A-4hzzA:
100.00
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
ASP A 151
ARG A 152
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
 G39  A 509 (-3.3A)
G39  A 509 (-3.6A)
G39  A 509 (-3.9A)
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
 0.72A 4i00A-4hzzA:
75.2		 4i00A-4hzzA:
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 5 ARG D 163
GLU D 390
ARG D 405
ARG D 495
TYR D 523
 SO4  D 608 ( 4.1A)
None
SO4  D 608 (-2.6A)
SO4  D 608 (-3.3A)
None
 0.64A 4i00A-4jf7D:
8.9		 4i00A-4jf7D:
21.77
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 152
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-4.2A)
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 (-3.1A)
27S  A 501 (-4.6A)
 0.54A 4i00A-4mjuA:
62.9		 4i00A-4mjuA:
46.33
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 ARG A 118
ARG A 152
ARG A 224
GLU A 227
GLU A 276
GLU A 277
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-4.2A)
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-4.6A)
 0.68A 4i00A-4mjuA:
62.9		 4i00A-4mjuA:
46.33
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) 		6 ARG A 118
ASP A 151
ARG A 152
GLU A 227
ALA A 246
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 (-4.6A)
 0.91A 4i00A-4mjuA:
62.9		 4i00A-4mjuA:
46.33
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) 		5 ARG A 152
GLU A 119
ALA A 246
ARG A 371
TYR A 406
 27S  A 501 (-4.2A)
27S  A 501 (-3.4A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 1.30A 4i00A-4mjuA:
62.9		 4i00A-4mjuA:
46.33
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) 		5 ASP A 151
ARG A 152
GLU A 119
ALA A 246
TYR A 406
 27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
27S  A 501 (-3.4A)
27S  A 501 ( 3.8A)
27S  A 501 (-4.6A)
 1.40A 4i00A-4mjuA:
62.9		 4i00A-4mjuA:
46.33
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 152
ARG A 224
ALA A 246
GLU A 277
ARG A 292
TYR A 406
 27S  A 501 (-3.4A)
27S  A 501 (-4.2A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 1.11A 4i00A-4mjuA:
62.9		 4i00A-4mjuA:
46.33
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		6 ARG A 220
ASP A 245
GLU A 415
ARG A 431
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
EDO  A 604 ( 4.3A)
None
None
None
None
 0.47A 4i00A-4q6kA:
5.9		 4i00A-4q6kA:
18.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A  36
GLU A  37
ASP A  69
ARG A  70
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 290
TYR A 324
 None
 0.62A 4i00A-4qn3A:
63.7		 4i00A-4qn3A:
47.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A  36
GLU A  37
ASP A  69
ARG A  70
ARG A 143
GLU A 146
ALA A 165
GLU A 196
ARG A 211
ARG A 290
TYR A 324
 None
 0.39A 4i00A-4qn3A:
63.7		 4i00A-4qn3A:
47.09
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.
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)
 1.02A 4i00A-4sliA:
21.6		 4i00A-4sliA:
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		6 ARG A 293
ASP A 318
GLU A 595
ARG A 611
ARG A 673
TYR A 713
 CNP  A 760 (-3.0A)
CNP  A 760 (-2.6A)
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.57A 4i00A-4sliA:
21.6		 4i00A-4sliA:
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.
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 4i00A-4txkA:
undetectable		 4i00A-4txkA:
18.39
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ARG A 257
ALA A 556
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
None
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.99A 4i00A-4x6kA:
18.5		 4i00A-4x6kA:
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		6 ARG A 257
ASP A 282
GLU A 559
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
3XR  A 802 (-2.5A)
3XR  A 802 ( 4.7A)
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.60A 4i00A-4x6kA:
18.5		 4i00A-4x6kA:
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
ALA A 538
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)
 1.22A 4i00A-4xhbA:
19.2		 4i00A-4xhbA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		6 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.61A 4i00A-4xhbA:
19.2		 4i00A-4xhbA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		6 ARG A 290
ASP A 315
GLU A 584
ARG A 600
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
G39  A 801 (-3.2A)
G39  A 801 ( 4.7A)
G39  A 801 (-2.9A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.74A 4i00A-4yw5A:
20.6		 4i00A-4yw5A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.50A 4i00A-5b2dA:
21.9		 4i00A-5b2dA:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ARG A 929
ASP A 914
ARG A 814
GLU A1034
ARG A1039
 None
None
EDO  A1603 (-3.9A)
EDO  A1603 (-2.7A)
EDO  A1603 ( 3.8A)
 1.23A 4i00A-5dotA:
undetectable		 4i00A-5dotA:
13.76
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 12 ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 224
GLU A 227
ALA A 246
GLU A 276
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 (-3.8A)
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 (-2.9A)
E3M  A 511 (-4.5A)
 0.44A 4i00A-6br6A:
65.7		 4i00A-6br6A:
12.67
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 6 ARG A 250
ASP A 276
GLU A 645
ARG A 661
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-3.3A)
G39  A 908 (-4.0A)
G39  A 908 (-2.8A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.45A 4i00A-6eksA:
12.3		 4i00A-6eksA:
19.66
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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 263
ARG A 265
ILE A  36
ASN A 419
 None
 1.32A 4i00A-1ciyA:
undetectable		 4i00A-1ciyA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		4 LEU B  18
TRP B  65
ILE B  44
ASN B 535
 None
 1.44A 4i00A-1cp9B:
undetectable		 4i00A-1cp9B:
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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		4 LEU A 142
ARG A  83
ILE A 155
ASN A 158
 None
 1.39A 4i00A-1dy6A:
undetectable		 4i00A-1dy6A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fyh INTERFERON GAMMA

(Homo sapiens) 		PF00714
(IFN-gamma) 		4 LEU A  33
ARG A  42
ILE A 244
ASN A  78
 None
 0.92A 4i00A-1fyhA:
undetectable		 4i00A-1fyhA:
19.80
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.
1fyh INTERFERON GAMMA

(Homo sapiens) 		PF00714
(IFN-gamma) 		4 LEU A 233
ARG A 242
ILE A  44
ASN A 278
 None
 1.20A 4i00A-1fyhA:
undetectable		 4i00A-1fyhA:
19.80
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.
1g1a DTDP-D-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 LEU A 320
ARG A 241
TRP A 317
ILE A 258
 None
 1.43A 4i00A-1g1aA:
undetectable		 4i00A-1g1aA:
20.36
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.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 ARG A 165
TRP A 179
ILE A 207
ASN A 197
 None
 1.25A 4i00A-1gqjA:
undetectable		 4i00A-1gqjA:
19.53
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		4 LEU A 222
TRP A 221
ILE A  77
ASN A 168
 None
 1.40A 4i00A-1ks8A:
undetectable		 4i00A-1ks8A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 LEU A 488
TRP A 651
ILE A 617
ASN A 845
 None
 1.41A 4i00A-1l5jA:
undetectable		 4i00A-1l5jA:
16.65
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 LEU A 488
TRP A 651
ILE A 617
ASN A 847
 None
 1.33A 4i00A-1l5jA:
undetectable		 4i00A-1l5jA:
16.65
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.
1m4x PBCV-1 VIRUS CAPSID

(Paramecium
bursaria
Chlorella virus
1) 		PF04451
(Capsid_NCLDV)
PF16903
(Capsid_N) 		4 LEU A 414
TRP A 264
ILE A 318
ASN A 376
 None
 1.49A 4i00A-1m4xA:
undetectable		 4i00A-1m4xA:
19.78
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 LEU N 134
ARG N 156
TRP N 178
ILE N 222
ASN N 294
 None
 0.88A 4i00A-1nmbN:
62.7		 4i00A-1nmbN:
40.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C) 		4 LEU D 865
ARG E 901
ILE A 169
ASN A 158
 None
 1.34A 4i00A-1o7dD:
undetectable		 4i00A-1o7dD:
20.72
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.
1paq TRANSLATION
INITIATION FACTOR
EIF-2B EPSILON
SUBUNIT

(Saccharomyces
cerevisiae) 		PF02020
(W2) 		4 LEU A 567
ARG A 624
ILE A 667
ASN A 616
 None
 0.98A 4i00A-1paqA:
undetectable		 4i00A-1paqA:
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.
1paq TRANSLATION
INITIATION FACTOR
EIF-2B EPSILON
SUBUNIT

(Saccharomyces
cerevisiae) 		PF02020
(W2) 		4 LEU A 692
TRP A 696
ILE A 673
ASN A 637
 None
 1.47A 4i00A-1paqA:
undetectable		 4i00A-1paqA:
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.
1pxz MAJOR POLLEN
ALLERGEN JUN A 1

(Juniperus ashei) 		PF00544
(Pec_lyase_C) 		4 ARG A  18
TRP A  69
ILE A 117
ASN A 190
 None
 1.33A 4i00A-1pxzA:
undetectable		 4i00A-1pxzA:
23.63
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.
1rzo AGGLUTININ

(Ricinus
communis) 		PF00652
(Ricin_B_lectin) 		4 LEU B2161
TRP B2173
ILE B2181
ASN B2226
 None
 1.49A 4i00A-1rzoB:
undetectable		 4i00A-1rzoB:
19.54
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 LEU A 329
ARG A 325
ILE A 253
ASN A 272
 None
 1.30A 4i00A-1s5jA:
undetectable		 4i00A-1s5jA:
17.35
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.
1tlf LAC REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 LEU A  90
ARG A  86
ILE A 123
ASN A 157
 None
 1.46A 4i00A-1tlfA:
undetectable		 4i00A-1tlfA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tua HYPOTHETICAL PROTEIN
APE0754

(Aeropyrum
pernix) 		PF00013
(KH_1) 		4 LEU A  82
ARG A  31
ILE A  69
ASN A 131
 None
 1.20A 4i00A-1tuaA:
undetectable		 4i00A-1tuaA:
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 ARG A 340
TRP A 741
ILE A 796
ASN A 799
 None
 1.32A 4i00A-1ut9A:
undetectable		 4i00A-1ut9A:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 140
ARG A 162
TRP A 185
ILE A 229
ASN A 301
 None
 0.87A 4i00A-1v0zA:
63.7		 4i00A-1v0zA:
50.00
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 LEU A 132
ARG A 154
TRP A 177
ILE A 221
ASN A 294
 None
IBA  A   1 (-4.1A)
None
IBA  A   1 ( 4.3A)
IBA  A   1 ( 3.9A)
 0.95A 4i00A-1vcjA:
52.3		 4i00A-1vcjA:
34.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wt9 ANTICOAGULANT
PROTEIN-B

(Deinagkistrodon
acutus) 		PF00059
(Lectin_C) 		4 LEU B  39
TRP B  65
ILE B  63
ASN B 103
 None
 1.48A 4i00A-1wt9B:
undetectable		 4i00A-1wt9B:
15.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 135
ARG A 157
TRP A 180
ILE A 224
ASN A 296
 None
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.7A)
ABW  A1000 ( 4.0A)
 0.96A 4i00A-1xogA:
62.9		 4i00A-1xogA:
47.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yts YERSINIA PROTEIN
TYROSINE PHOSPHATASE

(Yersinia
enterocolitica) 		PF00102
(Y_phosphatase) 		4 LEU A 204
ARG A 437
ILE A 249
ASN A 424
 None
 1.28A 4i00A-1ytsA:
undetectable		 4i00A-1ytsA:
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.
2ckh SENTRIN-SPECIFIC
PROTEASE 1

(Homo sapiens) 		PF02902
(Peptidase_C48) 		4 LEU A 643
ARG A 632
ILE A 637
ASN A 476
 None
 1.08A 4i00A-2ckhA:
undetectable		 4i00A-2ckhA:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 LEU A 134
ARG A 156
TRP A 178
ILE A 222
 None
 0.63A 4i00A-2htvA:
62.7		 4i00A-2htvA:
46.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 LEU A 134
TRP A 178
ILE A 222
ASN A 294
 None
 1.08A 4i00A-2htvA:
62.7		 4i00A-2htvA:
46.08
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.
2hy5 DSRH
PUTATIVE
SULFURTRANSFERASE
DSRE

(Allochromatium
vinosum) 		PF02635
(DrsE)
PF04077
(DsrH) 		4 ARG A  63
TRP A  64
ILE A   7
ASN C 408
 None
 1.25A 4i00A-2hy5A:
undetectable		 4i00A-2hy5A:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jar 5'(3')-DEOXYRIBONUCL
EOTIDASE

(Mus musculus) 		PF06941
(NT5C) 		4 LEU A 143
TRP A 160
ILE A 151
ASN A 170
 None
 1.43A 4i00A-2jarA:
undetectable		 4i00A-2jarA:
16.67
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.
2jau 5'(3')-DEOXYRIBONUCL
EOTIDASE

(Homo sapiens) 		PF06941
(NT5C) 		4 LEU A 172
TRP A 189
ILE A 180
ASN A 199
 None
 1.41A 4i00A-2jauA:
undetectable		 4i00A-2jauA:
18.32
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.
2xal INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Arabidopsis
thaliana) 		PF06090
(Ins_P5_2-kin) 		4 LEU A 144
ARG A  40
ILE A  93
ASN A  72
 None
ADP  A 600 (-3.7A)
None
None
 1.46A 4i00A-2xalA:
undetectable		 4i00A-2xalA:
20.65
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.
2xc8 GENE 22 PRODUCT

(Bacillus phage
SPP1) 		no annotation 4 LEU A  31
TRP A  73
ILE A  17
ASN A   6
 None
 1.42A 4i00A-2xc8A:
undetectable		 4i00A-2xc8A:
17.65
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.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae) 		PF01513
(NAD_kinase) 		4 LEU A 202
ARG A 204
ILE A 277
ASN A 395
 MPD  A2001 ( 4.8A)
MPD  A2001 (-3.4A)
None
None
 1.34A 4i00A-3afoA:
undetectable		 4i00A-3afoA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		4 LEU A 195
TRP A 131
ILE A 463
ASN A 439
 None
 1.40A 4i00A-3ayxA:
undetectable		 4i00A-3ayxA:
20.72
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.
3buz IOTA TOXIN COMPONENT
IA

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		4 LEU A 304
TRP A 326
ILE A 331
ASN A 335
 None
None
None
TAD  A 500 (-2.8A)
 1.35A 4i00A-3buzA:
undetectable		 4i00A-3buzA:
21.92
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 LEU A 134
ARG A 156
TRP A 178
ILE A 222
 None
ZMR  A 469 (-3.4A)
None
None
 0.71A 4i00A-3ckzA:
64.4		 4i00A-3ckzA:
46.70
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 LEU A 134
TRP A 178
ILE A 222
ASN A 294
 None
None
None
ZMR  A 469 (-3.9A)
 0.95A 4i00A-3ckzA:
64.4		 4i00A-3ckzA:
46.70
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.
3fww BIFUNCTIONAL PROTEIN
GLMU

(Yersinia pestis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		4 LEU A 186
TRP A 183
ILE A 126
ASN A 169
 None
 1.41A 4i00A-3fwwA:
undetectable		 4i00A-3fwwA:
21.47
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.
3g8y SUSD/RAGB-ASSOCIATED
ESTERASE-LIKE
PROTEIN

(Bacteroides
vulgatus) 		PF12715
(Abhydrolase_7) 		4 LEU A 257
ARG A 307
ILE A 310
ASN A 318
 None
None
EDO  A   9 (-4.6A)
None
 1.29A 4i00A-3g8yA:
undetectable		 4i00A-3g8yA:
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.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		4 LEU A 262
ARG A 247
ILE A 239
ASN A 193
 None
 1.41A 4i00A-3kswA:
undetectable		 4i00A-3kswA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ltw ARYLAMINE
N-ACETYLTRANSFERASE
NAT

(Mycobacterium
marinum) 		PF00797
(Acetyltransf_2) 		4 LEU A  41
ARG A  66
ILE A  36
ASN A  74
 None
 1.00A 4i00A-3ltwA:
undetectable		 4i00A-3ltwA:
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.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus) 		PF00248
(Aldo_ket_red) 		4 LEU A 165
TRP A 140
ILE A 155
ASN A  31
 None
 1.49A 4i00A-3o0kA:
undetectable		 4i00A-3o0kA:
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.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		4 LEU A 428
ARG A  72
TRP A  51
ASN A 450
 None
 1.35A 4i00A-3of7A:
7.2		 4i00A-3of7A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 LEU A  84
ARG A  66
ILE A  97
ASN A 137
 None
None
None
COA  A2598 (-3.3A)
 1.47A 4i00A-3owcA:
undetectable		 4i00A-3owcA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdy PLECTIN

(Homo sapiens) 		PF00435
(Spectrin) 		4 LEU A 555
TRP A 558
ILE A 592
ASN A 633
 None
 1.42A 4i00A-3pdyA:
undetectable		 4i00A-3pdyA:
18.32
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.
3qnm HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		4 LEU A  10
TRP A  15
ILE A 100
ASN A  70
 None
 1.49A 4i00A-3qnmA:
undetectable		 4i00A-3qnmA:
18.02
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 LEU L 194
TRP L 130
ILE L 470
ASN L 446
 None
 1.45A 4i00A-3rgwL:
undetectable		 4i00A-3rgwL:
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.
3t24 PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 LEU A 125
ARG A  13
ILE A  58
ASN A 161
 None
 1.45A 4i00A-3t24A:
undetectable		 4i00A-3t24A:
21.56
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) 		5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
 None
LNV  A 901 (-4.0A)
None
None
LNV  A 901 (-4.0A)
 0.91A 4i00A-3ti8A:
65.2		 4i00A-3ti8A:
45.27
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) 		5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
 None
LNV  A 801 (-4.0A)
None
None
LNV  A 801 (-4.0A)
 0.87A 4i00A-3tiaA:
65.4		 4i00A-3tiaA:
45.57
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.
3umv DEOXYRIBODIPYRIMIDIN
E PHOTO-LYASE

(Oryza sativa) 		PF00875
(DNA_photolyase) 		4 LEU A 482
TRP A 241
ILE A 426
ASN A 421
 None
EDO  A 701 (-4.6A)
None
FAD  A 801 (-3.0A)
 1.05A 4i00A-3umvA:
undetectable		 4i00A-3umvA:
19.54
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 LEU A1867
ARG A1872
ILE A1879
ASN A1857
 None
 1.10A 4i00A-3vkgA:
undetectable		 4i00A-3vkgA:
7.50
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.
3wg6 CONJUGATED
POLYKETONE REDUCTASE
C1

(Candida
parapsilosis) 		PF00248
(Aldo_ket_red) 		4 LEU A 171
TRP A 142
ILE A 157
ASN A  14
 None
 1.33A 4i00A-3wg6A:
undetectable		 4i00A-3wg6A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 LEU A 108
ARG A 106
ILE A 242
ASN A 150
 None
 1.47A 4i00A-3wiqA:
undetectable		 4i00A-3wiqA:
18.64
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 LEU A 134
ARG A 156
TRP A 179
ASN A 295
 None
None
None
G39  A1470 ( 3.7A)
 0.95A 4i00A-4b7jA:
64.0		 4i00A-4b7jA:
40.42
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 LEU A 345
TRP A 503
ILE A 456
ASN A 335
 None
 1.02A 4i00A-4c7vA:
undetectable		 4i00A-4c7vA:
19.62
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) 		5 LEU A 131
ARG A 153
TRP A 176
ILE A 220
ASN A 293
 None
ZMR  A 700 (-4.2A)
None
None
ZMR  A 700 ( 3.9A)
 0.97A 4i00A-4cpnA:
53.0		 4i00A-4cpnA:
30.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		4 LEU A 318
ARG A 228
ILE A 291
ASN A 303
 None
 1.37A 4i00A-4dkjA:
undetectable		 4i00A-4dkjA:
21.02
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.
4gl2 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 LEU A 809
ARG A 806
ILE A 814
ASN A 364
 None
 1.37A 4i00A-4gl2A:
undetectable		 4i00A-4gl2A:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
 None
None
None
None
SLB  A 512 ( 4.2A)
 0.86A 4i00A-4h53A:
65.5		 4i00A-4h53A:
53.18
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.
4he4 YELLOW FLUORESCENT
PROTEIN

(Phialidium sp.
SL-2003) 		PF01353
(GFP) 		4 LEU A 207
TRP A  57
ILE A  29
ASN A 119
 None
None
None
CRO  A  65 ( 4.0A)
 1.40A 4i00A-4he4A:
undetectable		 4i00A-4he4A:
22.42
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 LEU A 231
TRP A 254
ILE A 290
ASN A 297
 None
 1.50A 4i00A-4hymA:
undetectable		 4i00A-4hymA:
23.37
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) 		5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
 None
None
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.4A)
 0.19A 4i00A-4hzzA:
75.2		 4i00A-4hzzA:
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.
4k2b NTD BIOSYNTHESIS
OPERON PROTEIN NTDA

(Bacillus
subtilis) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A 415
ARG A 317
TRP A 348
ASN A 149
 None
 1.25A 4i00A-4k2bA:
undetectable		 4i00A-4k2bA:
19.57
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.
4lss ENVELOPE
GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 LEU G 416
TRP G 338
ILE G 452
ASN G 478
 None
 1.48A 4i00A-4lssG:
undetectable		 4i00A-4lssG:
21.34
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) 		5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
 None
None
None
27S  A 501 ( 4.6A)
27S  A 501 (-3.6A)
 1.04A 4i00A-4mjuA:
62.9		 4i00A-4mjuA:
46.33
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		4 LEU A  12
ARG A  24
ILE A   6
ASN A  70
 None
 1.37A 4i00A-4mptA:
undetectable		 4i00A-4mptA:
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.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 ARG A 441
TRP A 435
ILE A 282
ASN A 149
 None
None
NO3  A 502 (-4.8A)
None
 1.32A 4i00A-4o6rA:
undetectable		 4i00A-4o6rA:
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.
4o87 N-TAGGED NUCLEASE

(Millerozyma
acaciae) 		no annotation 4 LEU A 164
TRP A  68
ILE A  47
ASN A 123
 None
None
None
SO4  A 513 (-4.6A)
 1.19A 4i00A-4o87A:
undetectable		 4i00A-4o87A:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A  52
ARG A  74
TRP A  97
ILE A 141
ASN A 213
 None
 0.88A 4i00A-4qn3A:
63.7		 4i00A-4qn3A:
47.09
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ARG A 452
TRP A 456
ILE A 457
ASN A  71
 None
 1.33A 4i00A-4ud8A:
undetectable		 4i00A-4ud8A:
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 263
ARG A 265
ILE A  36
ASN A 418
 None
 1.39A 4i00A-4w8jA:
undetectable		 4i00A-4w8jA:
14.83
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 LEU A1181
TRP A1178
ILE A1162
ASN A1087
 None
 1.47A 4i00A-4xqkA:
undetectable		 4i00A-4xqkA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7s SURFACE ANTIGEN
PROTEIN 2

(Candida
albicans) 		PF05730
(CFEM) 		4 LEU A 138
ARG A 111
ILE A  55
ASN A  49
 None
 1.46A 4i00A-4y7sA:
undetectable		 4i00A-4y7sA:
15.43
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.
4yc7 FORMIN-LIKE PROTEIN
2

(Homo sapiens) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		4 LEU B 284
ARG B 299
ILE B 324
ASN B 374
 None
 1.20A 4i00A-4yc7B:
undetectable		 4i00A-4yc7B:
19.13
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 LEU A 455
ARG A 457
ILE A 695
ASN A 692
 None
 1.26A 4i00A-4yzwA:
undetectable		 4i00A-4yzwA:
19.29
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.
5bpt MGC81278 PROTEIN

(Xenopus laevis) 		PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4) 		4 LEU A 199
ARG A 200
ILE A  17
ASN A 730
 None
 1.49A 4i00A-5bptA:
undetectable		 4i00A-5bptA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ncl SERINE/THREONINE-PRO
TEIN KINASE CBK1

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A 656
TRP A 594
ILE A 463
ASN A 480
 None
None
None
ANP  A 801 (-3.8A)
 1.49A 4i00A-5nclA:
undetectable		 4i00A-5nclA:
12.63
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.
5o60 50S RIBOSOMAL
PROTEIN L10

(Mycolicibacterium
smegmatis) 		PF00466
(Ribosomal_L10) 		4 LEU I  36
ARG I  40
ILE I  79
ASN I  54
 A  A1202 ( 4.9A)
G  A1201 ( 3.5A)
None
G  A1225 ( 3.2A)
 1.25A 4i00A-5o60I:
undetectable		 4i00A-5o60I:
15.64
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.
5ocs PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE

(Cupriavidus
metallidurans) 		PF00724
(Oxidored_FMN) 		4 ARG A 231
TRP A 229
ILE A  10
ASN A  17
 FMN  A 401 (-2.8A)
None
None
None
 1.47A 4i00A-5ocsA:
undetectable		 4i00A-5ocsA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tt1 PUTATIVE SHORT-CHAIN
ALCOHOL
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00106
(adh_short) 		4 ARG A  31
TRP A  33
ILE A  11
ASN A  90
 None
 1.49A 4i00A-5tt1A:
undetectable		 4i00A-5tt1A:
19.19
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.
5vkw ADENYLOSUCCINATE
LYASE

(Candida
albicans) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 LEU A 173
TRP A 172
ILE A 266
ASN A 354
 None
 1.33A 4i00A-5vkwA:
undetectable		 4i00A-5vkwA:
22.53
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.
5wru PROBABLE INORGANIC
PYROPHOSPHATASE

(Plasmodium
falciparum) 		no annotation 4 LEU A 269
ARG A 273
ILE A 229
ASN A 361
 None
 1.37A 4i00A-5wruA:
undetectable		 4i00A-5wruA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 LEU A 143
TRP A 118
ILE A 119
ASN A  94
 None
 1.46A 4i00A-5wugA:
undetectable		 4i00A-5wugA:
10.13
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 LEU C 773
TRP C 776
ILE C 792
ASN C 869
 None
 1.30A 4i00A-5y3rC:
undetectable		 4i00A-5y3rC:
6.47
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.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 LEU C 400
ARG C 401
ILE C 322
ASN C 197
 None
 1.02A 4i00A-5y6qC:
undetectable		 4i00A-5y6qC:
11.96
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.
5y7y ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
ARYL HYDROCARBON
RECEPTOR REPRESSOR

(Bos taurus;
Homo sapiens) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		4 LEU A 248
TRP A 177
ILE B 458
ASN B 461
 None
 1.14A 4i00A-5y7yA:
undetectable		 4i00A-5y7yA:
19.07
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.
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 4 LEU A 778
TRP A 782
ILE A 835
ASN A 838
 None
None
None
IOD  A 907 ( 4.7A)
 1.40A 4i00A-6ax6A:
undetectable		 4i00A-6ax6A:
11.32
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 5 LEU A 134
ARG A 156
TRP A 178
ILE A 222
ASN A 294
 None
None
None
E3M  A 511 ( 4.3A)
E3M  A 511 ( 3.1A)
 0.88A 4i00A-6br6A:
65.7		 4i00A-6br6A:
12.67
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.
6ejj WLAC PROTEIN

(Campylobacter
jejuni) 		no annotation 4 LEU A  21
TRP A 350
ILE A 114
ASN A 106
 None
 1.49A 4i00A-6ejjA:
undetectable		 4i00A-6ejjA:
11.08