SIMILAR PATTERNS OF AMINO ACIDS FOR 5L17_A_ZMRA512

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


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

(Escherichia
coli)
PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2)
5 ARG A 260
GLU A 363
ARG A 336
ARG A 361
GLU A 353
None
1.22A 5l17A-1eqnA:
undetectable
5l17A-1eqnA:
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.
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)
0.91A 5l17A-1ms8A:
20.2
5l17A-1ms8A:
21.81
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.
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
0.62A 5l17A-1mz5A:
20.2
5l17A-1mz5A:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
12 ARG N 118
GLU N 119
ASP N 151
ARG N 156
ARG N 224
GLU N 227
ALA N 246
GLU N 276
GLU N 277
ARG N 292
ARG N 371
TYR N 406
None
0.72A 5l17A-1nmbN:
72.9
5l17A-1nmbN:
79.36
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 162
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
0.37A 5l17A-1v0zA:
72.9
5l17A-1v0zA:
68.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
11 ARG A 116
GLU A 117
ASP A 149
ARG A 154
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 (-4.1A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 (-3.2A)
None
0.61A 5l17A-1vcjA:
53.9
5l17A-1vcjA:
31.78
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)
7 ARG A 116
GLU A 117
ASP A 149
ARG A 154
ARG A 223
GLU A 275
TYR A 409
IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.6A)
IBA  A   1 (-4.1A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-4.1A)
None
1.20A 5l17A-1vcjA:
53.9
5l17A-1vcjA:
31.78
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.
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 5l17A-1w8oA:
21.9
5l17A-1w8oA:
21.73
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 157
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 (-4.2A)
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)
0.42A 5l17A-1xogA:
74.8
5l17A-1xogA:
93.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
10 GLU A 120
ARG A 157
ARG A 226
GLU A 229
ALA A 248
GLU A 278
GLU A 279
ARG A 294
ARG A 372
TYR A 406
ABW  A1000 (-3.7A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
0.61A 5l17A-1xogA:
74.8
5l17A-1xogA:
93.40
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.
2azw MUTT/NUDIX FAMILY
PROTEIN


(Enterococcus
faecalis)
PF00293
(NUDIX)
5 ARG A  18
GLU A  49
ARG A  90
GLU A  66
ARG A  62
None
1.39A 5l17A-2azwA:
undetectable
5l17A-2azwA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5l17A-2bf6A:
21.1
5l17A-2bf6A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f28 SIALIDASE 2

(Homo sapiens)
PF13088
(BNR_2)
5 ARG A  21
GLU A 218
ARG A 237
ARG A 304
TYR A 334
None
0.42A 5l17A-2f28A:
10.0
5l17A-2f28A:
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL
SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL


(Sus scrofa)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF08442
(ATP-grasp_2)
5 GLU A 224
ALA A 247
GLU A 223
ARG A 161
ARG B 123
None
1.44A 5l17A-2fpgA:
undetectable
5l17A-2fpgA:
22.60
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 156
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
None
0.52A 5l17A-2htvA:
63.0
5l17A-2htvA:
42.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
8 ARG A 118
ASP A 151
ARG A 224
GLU A 227
GLU A 277
ARG A 292
ARG A 371
TYR A 406
None
0.59A 5l17A-2htvA:
63.0
5l17A-2htvA:
42.79
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 156
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
None
1.14A 5l17A-2htvA:
63.0
5l17A-2htvA:
42.79
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor)
PF02668
(TauD)
5 ARG A 257
ARG A 251
GLU A 250
ALA A 205
GLU A 207
None
1.38A 5l17A-2og7A:
undetectable
5l17A-2og7A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.26A 5l17A-2qniA:
undetectable
5l17A-2qniA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 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 5l17A-2rhqB:
undetectable
5l17A-2rhqB:
21.16
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.
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
0.58A 5l17A-2w20A:
6.2
5l17A-2w20A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w38 SIALIDASE

(Pseudomonas
aeruginosa)
PF13088
(BNR_2)
5 ARG A  78
GLU A 182
ARG A 198
ARG A 260
TYR A 297
None
1.20A 5l17A-2w38A:
20.2
5l17A-2w38A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.43A 5l17A-2xziA:
6.0
5l17A-2xziA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa)
PF00590
(TP_methylase)
5 GLU A 114
ARG A 111
ARG A 118
GLU A 121
GLU A 117
None
UP2  A1268 (-3.8A)
None
None
None
1.25A 5l17A-2ybqA:
undetectable
5l17A-2ybqA:
20.05
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.
2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA


(Rhodococcus
erythropolis)
PF02211
(NHase_beta)
PF02979
(NHase_alpha)
5 GLU A 165
ASP B  53
ARG B  56
ALA B 116
GLU B 177
None
None
CSO  A 114 ( 3.8A)
None
None
1.15A 5l17A-2zpbA:
undetectable
5l17A-2zpbA:
20.16
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)
11 ARG A 118
GLU A 119
ASP A 151
ARG A 156
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 (-3.4A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-2.9A)
ZMR  A 469 (-4.7A)
0.60A 5l17A-3ckzA:
64.6
5l17A-3ckzA:
47.37
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.
3din PREPROTEIN
TRANSLOCASE SUBUNIT
SECY


(Thermotoga
maritima)
PF00344
(SecY)
5 GLU C 330
ARG C 107
ALA C 236
GLU C 237
ARG C 336
None
1.43A 5l17A-3dinC:
undetectable
5l17A-3dinC:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1


(Saccharomyces
cerevisiae)
PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4)
5 GLU A 555
ARG A 623
GLU A 535
ARG A 604
TYR A 557
None
1.40A 5l17A-3kt4A:
undetectable
5l17A-3kt4A:
20.21
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.
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)
0.75A 5l17A-3silA:
13.1
5l17A-3silA:
22.66
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 156
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)
0.29A 5l17A-3ti8A:
65.2
5l17A-3ti8A:
43.64
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 156
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 (-4.0A)
LNV  A 801 (-4.2A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-2.9A)
LNV  A 801 (-3.8A)
LNV  A 801 (-3.0A)
LNV  A 801 (-2.9A)
LNV  A 801 (-4.4A)
0.23A 5l17A-3tiaA:
64.9
5l17A-3tiaA:
44.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zie SEPF-LIKE PROTEIN

(Archaeoglobus
fulgidus)
PF04472
(SepF)
5 ARG A  55
GLU A  52
GLU A  56
ARG A  40
TYR A  38
None
1.01A 5l17A-3zieA:
undetectable
5l17A-3zieA:
12.40
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)
11 ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 225
GLU A 228
GLU A 277
GLU A 278
ARG A 293
ARG A 368
TYR A 402
G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
G39  A1470 (-3.7A)
None
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
0.54A 5l17A-4b7jA:
64.5
5l17A-4b7jA:
42.52
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.
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 5l17A-4bbwA:
21.4
5l17A-4bbwA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.65A 5l17A-4bbwA:
21.4
5l17A-4bbwA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgs POLYMERASE SUBUNIT
PA


(Dhori
thogotovirus)
no annotation 5 ARG A 163
GLU A 162
GLU A  31
GLU A 166
ARG A  28
None
1.26A 5l17A-4cgsA:
undetectable
5l17A-4cgsA:
18.77
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.
4cpn NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
12 ARG A 115
GLU A 116
ASP A 148
ARG A 153
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 (-4.2A)
ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.8A)
ZMR  A 700 (-3.0A)
ZMR  A 700 (-4.6A)
0.51A 5l17A-4cpnA:
54.4
5l17A-4cpnA:
28.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE


(Parabacteroides
distasonis)
PF13859
(BNR_3)
PF14873
(BNR_assoc_N)
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)
0.54A 5l17A-4fj6A:
21.4
5l17A-4fj6A:
22.68
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.
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
0.70A 5l17A-4fzhA:
6.8
5l17A-4fzhA:
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.
4g9q 4-CARBOXYMUCONOLACTO
NE DECARBOXYLASE


(Sinorhizobium
meliloti)
PF02627
(CMD)
5 ARG A  46
GLU A 217
ARG A  54
GLU A 213
ALA A 238
None
1.26A 5l17A-4g9qA:
undetectable
5l17A-4g9qA:
22.22
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 156
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)
None
SLB  A 512 (-4.2A)
None
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
SLB  A 512 (-3.1A)
SLB  A 512 (-2.9A)
0.24A 5l17A-4h53A:
64.9
5l17A-4h53A:
48.63
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 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
G39  A 509 (-3.6A)
None
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
0.53A 5l17A-4hzzA:
63.0
5l17A-4hzzA:
47.54
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 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371
TYR A 406
G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
G39  A 509 (-3.6A)
None
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-2.8A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
0.37A 5l17A-4hzzA:
63.0
5l17A-4hzzA:
47.54
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.
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
0.66A 5l17A-4jf7D:
11.2
5l17A-4jf7D:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mel UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 11


(Homo sapiens)
PF06337
(DUSP)
PF14836
(Ubiquitin_3)
5 GLU A  71
GLU A  50
GLU A  43
ARG A  49
TYR A  67
None
1.38A 5l17A-4melA:
undetectable
5l17A-4melA:
20.40
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)
10 ARG A 118
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
27S  A 501 (-3.0A)
None
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
0.52A 5l17A-4mjuA:
62.7
5l17A-4mjuA:
43.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
6 ARG A 118
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ALA A 246
27S  A 501 (-3.0A)
27S  A 501 (-3.2A)
None
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
0.77A 5l17A-4mjuA:
62.7
5l17A-4mjuA:
43.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
7 GLU A 119
ARG A 224
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406
27S  A 501 (-3.4A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
0.95A 5l17A-4mjuA:
62.7
5l17A-4mjuA:
43.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6k BNR/ASP-BOX REPEAT
PROTEIN


(Bacteroides
caccae)
PF13088
(BNR_2)
PF14873
(BNR_assoc_N)
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
0.46A 5l17A-4q6kA:
3.2
5l17A-4q6kA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
12 ARG A  36
GLU A  37
ASP A  69
ARG A  74
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
ARG A 290
TYR A 324
None
0.42A 5l17A-4qn3A:
71.3
5l17A-4qn3A:
62.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4sli INTRAMOLECULAR
TRANS-SIALIDASE


(Macrobdella
decora)
PF02973
(Sialidase)
PF13088
(BNR_2)
5 ALA A 592
GLU A 595
ARG A 611
ARG A 673
TYR A 713
None
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
0.96A 5l17A-4sliA:
21.3
5l17A-4sliA:
23.04
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.
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 5l17A-4sliA:
21.3
5l17A-4sliA:
23.04
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1


(Mus musculus)
PF00307
(CH)
PF01494
(FAD_binding_3)
5 ARG A 230
GLU A 373
ALA A 473
GLU A 437
ARG A 371
None
1.13A 5l17A-4txkA:
undetectable
5l17A-4txkA:
19.65
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus)
PF13088
(BNR_2)
6 ARG A 257
ALA A 556
GLU A 559
ARG A 575
ARG A 637
TYR A 677
3XR  A 802 (-3.0A)
None
3XR  A 802 ( 4.7A)
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
0.96A 5l17A-4x6kA:
7.8
5l17A-4x6kA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5l17A-4x6kA:
7.8
5l17A-4x6kA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhb SIALIDASE B

(Streptococcus
pneumoniae)
PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2)
6 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
1.15A 5l17A-4xhbA:
18.9
5l17A-4xhbA:
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.
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)
0.60A 5l17A-4xhbA:
18.9
5l17A-4xhbA:
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.
4yj1 UNCHARACTERIZED
PROTEIN


(Trypanosoma
brucei)
PF09818
(ABC_ATPase)
5 ARG A 339
ALA A 645
GLU A 560
ARG A 167
ARG A 137
None
1.38A 5l17A-4yj1A:
undetectable
5l17A-4yj1A:
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.
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)
0.72A 5l17A-4yw5A:
7.7
5l17A-4yw5A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 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)
0.52A 5l17A-5b2dA:
9.9
5l17A-5b2dA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1


(Homo sapiens)
PF00069
(Pkinase)
5 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
None
1.42A 5l17A-5kbrA:
undetectable
5l17A-5kbrA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nmi CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN,
MITOCHONDRIAL


(Bos taurus)
PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1)
5 GLU D 197
GLU D 195
ALA D 119
ARG C  80
TYR C  81
None
None
None
HEM  C 501 (-3.7A)
None
1.46A 5l17A-5nmiD:
undetectable
5l17A-5nmiD:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x9y DNA MISMATCH REPAIR
PROTEIN MUTL


(Aquifex
aeolicus)
no annotation 5 ARG C 104
GLU C 115
ARG C 127
GLU C 117
ARG C 140
None
1.28A 5l17A-5x9yC:
undetectable
5l17A-5x9yC:
20.79
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.
6br6 NEURAMINIDASE

(Influenza A
virus)
no annotation 12 ARG A 118
GLU A 119
ASP A 151
ARG A 156
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)
None
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-3.1A)
E3M  A 511 (-2.3A)
E3M  A 511 ( 3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 (-2.9A)
E3M  A 511 (-4.5A)
0.29A 5l17A-6br6A:
64.7
5l17A-6br6A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.44A 5l17A-6eksA:
20.6
5l17A-6eksA:
19.24
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 LEU N 134
ARG N 152
TRP N 178
ILE N 222
None
0.33A 5l17A-1nmbN:
72.9
5l17A-1nmbN:
79.36
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)
4 LEU A 140
ARG A 158
TRP A 185
ILE A 229
None
0.24A 5l17A-1v0zA:
72.9
5l17A-1v0zA:
68.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
4 LEU A 132
ARG A 150
TRP A 177
ILE A 221
None
IBA  A   1 (-3.9A)
None
IBA  A   1 ( 4.3A)
0.49A 5l17A-1vcjA:
53.9
5l17A-1vcjA:
31.78
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)
4 LEU A 135
ARG A 153
TRP A 180
ILE A 224
None
ABW  A1000 (-4.1A)
None
ABW  A1000 ( 4.7A)
0.14A 5l17A-1xogA:
74.8
5l17A-1xogA:
93.40
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.
2arc ARABINOSE OPERON
REGULATORY PROTEIN


(Escherichia
coli)
PF02311
(AraC_binding)
4 LEU A 161
ARG A 101
TRP A 104
ILE A 153
None
1.45A 5l17A-2arcA:
undetectable
5l17A-2arcA:
18.83
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 152
TRP A 178
ILE A 222
None
0.38A 5l17A-2htvA:
63.0
5l17A-2htvA:
42.79
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.
2y3s TAML

(Streptomyces
sp. 307-9)
PF01565
(FAD_binding_4)
PF08031
(BBE)
4 LEU A 200
ARG A  91
TRP A 199
ILE A 168
None
1.30A 5l17A-2y3sA:
undetectable
5l17A-2y3sA:
21.14
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 152
TRP A 178
ILE A 222
None
ZMR  A 469 (-3.9A)
None
None
0.16A 5l17A-3ckzA:
64.6
5l17A-3ckzA:
47.37
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE


(Pseudomonas
putida)
PF13489
(Methyltransf_23)
4 LEU A 192
ARG A 186
TRP A 191
ILE A 130
None
1.09A 5l17A-3e8sA:
undetectable
5l17A-3e8sA:
18.50
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 LEU A 134
ARG A 152
TRP A 178
ILE A 222
None
LNV  A 901 (-4.0A)
None
None
0.18A 5l17A-3ti8A:
65.2
5l17A-3ti8A:
43.64
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 LEU A 134
ARG A 152
TRP A 178
ILE A 222
None
LNV  A 801 (-3.9A)
None
None
0.13A 5l17A-3tiaA:
64.9
5l17A-3tiaA:
44.28
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE


(Streptomyces
coelicolor)
PF00195
(Chal_sti_synt_N)
4 LEU A 205
ARG A  51
TRP A  53
ILE A  22
None
1.34A 5l17A-3v7iA:
undetectable
5l17A-3v7iA:
20.77
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.
4cpn NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
4 LEU A 131
ARG A 149
TRP A 176
ILE A 220
None
ZMR  A 700 (-4.0A)
None
None
0.17A 5l17A-4cpnA:
54.4
5l17A-4cpnA:
28.93
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)
4 LEU A 134
ARG A 152
TRP A 178
ILE A 222
None
SLB  A 512 (-3.8A)
None
None
0.15A 5l17A-4h53A:
64.9
5l17A-4h53A:
48.63
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 LEU A 134
ARG A 152
TRP A 178
ILE A 222
None
G39  A 509 (-3.9A)
None
G39  A 509 ( 4.1A)
0.15A 5l17A-4hzzA:
63.0
5l17A-4hzzA:
47.54
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 LEU A 134
ARG A 152
TRP A 178
ILE A 222
None
27S  A 501 (-4.2A)
None
27S  A 501 ( 4.6A)
0.30A 5l17A-4mjuA:
62.7
5l17A-4mjuA:
43.25
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)
4 LEU A  52
ARG A  70
TRP A  97
ILE A 141
None
0.27A 5l17A-4qn3A:
71.3
5l17A-4qn3A:
62.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6br6 NEURAMINIDASE

(Influenza A
virus)
no annotation 4 LEU A 134
ARG A 152
TRP A 178
ILE A 222
None
E3M  A 511 (-3.8A)
None
E3M  A 511 ( 4.3A)
0.16A 5l17A-6br6A:
64.7
5l17A-6br6A:
20.51