SIMILAR PATTERNS OF AMINO ACIDS FOR 3TIC_C_ZMRC1002_1

List of similar pattern of amino acids derived from ASSAM search

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

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


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ihn HYPOTHETICAL PROTEIN
MTH938


(Methanothermobacter
thermautotrophicus)
PF04430
(DUF498)
5 GLU A  63
ALA A 114
GLU A  68
GLU A  67
ARG A  43
None
1.50A 3ticC-1ihnA:
undetectable
3ticC-1ihnA:
11.93
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.
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)
0.93A 3ticC-1ms8A:
20.1
3ticC-1ms8A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 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 3ticC-1mz5A:
20.4
3ticC-1mz5A:
22.26
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 224
GLU N 227
ALA N 246
GLU N 276
GLU N 277
ARG N 292
ASN N 294
ARG N 371
TYR N 406
None
0.75A 3ticC-1nmbN:
63.9
3ticC-1nmbN:
47.07
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 ARG N 118
GLU N 119
ASP N 151
ASN N 347
TYR N 406
None
1.16A 3ticC-1nmbN:
63.9
3ticC-1nmbN:
47.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
5 GLU N 227
ALA N 246
ARG N 292
ASN N 294
TYR N 406
None
1.29A 3ticC-1nmbN:
63.9
3ticC-1nmbN:
47.07
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.
1rzg FAB 412D LIGHT CHAIN

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
5 ARG A  83
GLU A  85
ASP A  86
GLU A  46
ARG A  62
None
None
None
SUC  A9002 (-2.9A)
SUC  A9002 (-4.2A)
1.46A 3ticC-1rzgA:
undetectable
3ticC-1rzgA:
18.76
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 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
ASN A 301
ARG A 378
TYR A 412
None
0.46A 3ticC-1v0zA:
64.9
3ticC-1v0zA:
43.86
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.
1vcj NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
11 ARG A 116
GLU A 117
ASP A 149
ARG A 223
GLU A 226
ALA A 245
GLU A 276
ARG A 292
ASN A 294
ARG A 374
TYR A 409
IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.6A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.2A)
None
0.58A 3ticC-1vcjA:
54.2
3ticC-1vcjA:
28.84
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.
1vcj NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
6 ARG A 116
GLU A 117
ASP A 149
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 ( 4.5A)
IBA  A   1 (-4.1A)
None
1.32A 3ticC-1vcjA:
54.2
3ticC-1vcjA:
28.84
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.
1vcj NEURAMINIDASE

(Influenza B
virus)
PF00064
(Neur)
5 GLU A 226
ALA A 245
ARG A 292
ASN A 294
TYR A 409
IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 ( 3.9A)
None
1.24A 3ticC-1vcjA:
54.2
3ticC-1vcjA:
28.84
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.
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 3ticC-1w8oA:
21.9
3ticC-1w8oA:
21.28
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 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ASN A 296
ARG A 372
TYR A 406
ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-3.7A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
0.46A 3ticC-1xogA:
64.0
3ticC-1xogA:
41.86
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 119
GLU A 120
ASP A 152
ASN A 348
TYR A 406
ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-3.7A)
None
ABW  A1000 (-4.9A)
0.98A 3ticC-1xogA:
64.0
3ticC-1xogA:
41.86
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 GLU A 120
ALA A 248
ARG A 294
ASN A 296
TYR A 406
ABW  A1000 (-3.7A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-4.9A)
1.34A 3ticC-1xogA:
64.0
3ticC-1xogA:
41.86
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)
9 GLU A 120
ARG A 226
GLU A 229
ALA A 248
GLU A 278
GLU A 279
ARG A 294
ASN A 296
TYR A 406
ABW  A1000 (-3.7A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-4.9A)
0.67A 3ticC-1xogA:
64.0
3ticC-1xogA:
41.86
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.
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)
0.50A 3ticC-2bf6A:
8.9
3ticC-2bf6A:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.43A 3ticC-2f28A:
10.3
3ticC-2f28A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.48A 3ticC-2fpgA:
undetectable
3ticC-2fpgA:
19.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
9 ARG A 118
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
None
0.42A 3ticC-2htvA:
62.6
3ticC-2htvA:
41.33
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
ARG A 224
GLU A 227
GLU A 277
ARG A 371
TYR A 406
None
0.65A 3ticC-2htvA:
62.6
3ticC-2htvA:
41.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
7 GLU A 119
ARG A 224
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 406
None
0.91A 3ticC-2htvA:
62.6
3ticC-2htvA:
41.33
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor)
PF02668
(TauD)
5 ARG A 257
ARG A 251
GLU A 250
ALA A 205
GLU A 207
None
1.50A 3ticC-2og7A:
undetectable
3ticC-2og7A:
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.
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
1.45A 3ticC-2qniA:
undetectable
3ticC-2qniA:
18.68
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.
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
1.38A 3ticC-2rhqB:
undetectable
3ticC-2rhqB:
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.
2vbi PYRUVATE
DECARBOXYLASE


(Acetobacter
pasteurianus)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 GLU A  90
ALA A 418
GLU A  58
ASN A 421
ARG A 221
None
1.14A 3ticC-2vbiA:
undetectable
3ticC-2vbiA:
21.37
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.
2vdw VACCINIA VIRUS
CAPPING ENZYME D1
SUBUNIT


(Vaccinia virus)
PF03291
(Pox_MCEL)
5 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1846 (-3.4A)
SAH  A1846 (-3.1A)
None
SAH  A1846 ( 4.9A)
SAH  A1846 (-3.2A)
1.50A 3ticC-2vdwA:
undetectable
3ticC-2vdwA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 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
0.59A 3ticC-2w20A:
8.2
3ticC-2w20A:
22.37
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.
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)
0.41A 3ticC-2xziA:
7.6
3ticC-2xziA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE


(Aquifex
aeolicus)
PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N)
5 ARG A 378
GLU A 100
GLU A  71
ARG A 287
ASN A 285
PO4  A 645 (-3.6A)
None
PO4  A 645 (-2.9A)
PO4  A 645 (-3.3A)
None
1.14A 3ticC-2yw2A:
undetectable
3ticC-2yw2A:
21.53
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 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-3.9A)
ZMR  A 469 (-2.9A)
ZMR  A 469 (-4.7A)
0.41A 3ticC-3ckzA:
64.0
3ticC-3ckzA:
41.94
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)
5 GLU A 119
GLU A 276
ARG A 292
ASN A 294
TYR A 406
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-3.9A)
ZMR  A 469 (-4.7A)
1.37A 3ticC-3ckzA:
64.0
3ticC-3ckzA:
41.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fvc GLYCOPROTEIN GP110

(Human
gammaherpesvirus
4)
PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2)
5 GLU A 289
ARG A 291
GLU A 242
ASN A 240
ARG A 273
None
1.24A 3ticC-3fvcA:
undetectable
3ticC-3fvcA:
20.35
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.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE


(Ehrlichia
chaffeensis)
PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N)
5 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
UNX  A 425 ( 4.0A)
None
None
None
None
1.27A 3ticC-3lp8A:
undetectable
3ticC-3lp8A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfi TRANSCRIPTIONAL
REGULATOR


(Enterococcus
faecalis)
PF03816
(LytR_cpsA_psr)
5 ARG A 197
ASP A  70
ARG A 104
ASN A 120
ARG A 209
None
1.47A 3ticC-3qfiA:
undetectable
3ticC-3qfiA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3ticC-3silA:
12.9
3ticC-3silA:
22.04
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 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
LNV  A 901 (-3.0A)
LNV  A 901 (-3.6A)
LNV  A 901 (-3.4A)
LNV  A 901 (-4.1A)
LNV  A 901 (-3.4A)
LNV  A 901 (-3.5A)
LNV  A 901 (-2.9A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-2.8A)
LNV  A 901 (-4.0A)
LNV  A 901 (-2.9A)
LNV  A 901 (-4.8A)
0.17A 3ticC-3ti8A:
65.3
3ticC-3ti8A:
39.37
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 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-4.2A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-2.9A)
LNV  A 801 (-3.8A)
LNV  A 801 (-3.0A)
LNV  A 801 (-4.0A)
LNV  A 801 (-2.9A)
LNV  A 801 (-4.4A)
0.09A 3ticC-3tiaA:
76.6
3ticC-3tiaA:
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.
3zie SEPF-LIKE PROTEIN

(Archaeoglobus
fulgidus)
PF04472
(SepF)
5 ARG A  55
GLU A  52
GLU A  56
ARG A  40
TYR A  38
None
1.07A 3ticC-3zieA:
undetectable
3ticC-3zieA:
11.78
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 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)
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)
0.63A 3ticC-4b7jA:
63.9
3ticC-4b7jA:
45.55
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 225
GLU A 228
GLU A 278
ARG A 293
ASN A 295
ARG A 368
TYR A 402
G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
G39  A1470 (-3.7A)
G39  A1470 (-4.4A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 ( 3.7A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
0.47A 3ticC-4b7jA:
63.9
3ticC-4b7jA:
45.55
Potential target for repurposing, i.e. matched protein structure has less than 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
0.82A 3ticC-4bbwA:
21.6
3ticC-4bbwA:
20.68
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.
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
0.66A 3ticC-4bbwA:
21.6
3ticC-4bbwA:
20.68
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.
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
1.25A 3ticC-4cgsA:
undetectable
3ticC-4cgsA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT


(Vaccinia virus)
PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT)
5 ARG A 655
ASP A 598
GLU A 652
ALA A 625
ARG A 548
SAH  A1845 (-3.3A)
SAH  A1845 (-3.5A)
None
SAH  A1845 ( 4.7A)
SAH  A1845 (-3.4A)
1.45A 3ticC-4ckbA:
undetectable
3ticC-4ckbA:
20.33
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 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
ARG A 291
ASN A 293
ARG A 373
TYR A 408
ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.3A)
ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.8A)
ZMR  A 700 ( 3.9A)
ZMR  A 700 (-3.0A)
ZMR  A 700 (-4.6A)
0.47A 3ticC-4cpnA:
55.1
3ticC-4cpnA:
30.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.53A 3ticC-4fj6A:
21.3
3ticC-4fj6A:
22.16
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE


(Avian
avulavirus 1)
PF00423
(HN)
5 ARG A 174
GLU A 401
ARG A 416
ARG A 498
TYR A 526
None
0.71A 3ticC-4fzhA:
11.4
3ticC-4fzhA:
20.07
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 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
SLB  A 512 (-3.5A)
SLB  A 512 (-4.2A)
None
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
SLB  A 512 (-3.1A)
SLB  A 512 ( 4.2A)
SLB  A 512 (-2.9A)
0.15A 3ticC-4h53A:
76.4
3ticC-4h53A:
99.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
9 ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
TYR A 406
G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
G39  A 509 (-3.6A)
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-4.6A)
0.58A 3ticC-4hzzA:
64.8
3ticC-4hzzA:
45.57
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)
10 ARG A 118
GLU A 119
ASP A 151
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 (-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 3ticC-4hzzA:
64.8
3ticC-4hzzA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
9 GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ASN A 294
TYR A 406
G39  A 509 (-3.3A)
G39  A 509 (-3.6A)
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 ( 4.4A)
G39  A 509 (-4.6A)
0.87A 3ticC-4hzzA:
64.8
3ticC-4hzzA:
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE


(Mammalian
rubulavirus 5)
no annotation 6 ARG D 163
GLU D 390
ARG D 405
ASN D 407
ARG D 495
TYR D 523
SO4  D 608 ( 4.1A)
None
SO4  D 608 (-2.6A)
None
SO4  D 608 (-3.3A)
None
0.77A 3ticC-4jf7D:
12.0
3ticC-4jf7D:
23.39
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.
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
1.33A 3ticC-4melA:
undetectable
3ticC-4melA:
16.88
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 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
27S  A 501 (-3.0A)
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.6A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
0.57A 3ticC-4mjuA:
62.8
3ticC-4mjuA:
42.49
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 118
ASP A 151
ARG A 224
GLU A 227
ALA A 246
27S  A 501 (-3.0A)
27S  A 501 (-3.2A)
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
0.90A 3ticC-4mjuA:
62.8
3ticC-4mjuA:
42.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus)
PF00064
(Neur)
8 GLU A 119
ARG A 224
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 406
27S  A 501 (-3.4A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.6A)
27S  A 501 (-4.6A)
1.00A 3ticC-4mjuA:
62.8
3ticC-4mjuA:
42.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n5f PUTATIVE ACYL-COA
DEHYDROGENASE


(Burkholderia
cenocepacia)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 ARG A  17
GLU A  75
ALA A 289
ARG A 296
ASN A 293
None
1.45A 3ticC-4n5fA:
undetectable
3ticC-4n5fA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 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 3ticC-4q6kA:
5.9
3ticC-4q6kA:
20.77
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 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
ASN A 213
ARG A 290
TYR A 324
None
0.47A 3ticC-4qn3A:
64.5
3ticC-4qn3A:
43.88
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.
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)
1.04A 3ticC-4sliA:
8.0
3ticC-4sliA:
22.08
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.
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)
0.58A 3ticC-4sliA:
8.0
3ticC-4sliA:
22.08
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.
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
1.15A 3ticC-4txkA:
undetectable
3ticC-4txkA:
20.25
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus)
PF13088
(BNR_2)
6 ARG A 257
ALA A 556
GLU A 559
ARG A 575
ARG A 637
TYR A 677
3XR  A 802 (-3.0A)
None
3XR  A 802 ( 4.7A)
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
1.07A 3ticC-4x6kA:
2.7
3ticC-4x6kA:
21.58
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.
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)
0.62A 3ticC-4x6kA:
2.7
3ticC-4x6kA:
21.58
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.
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)
1.28A 3ticC-4xhbA:
19.2
3ticC-4xhbA:
22.29
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.
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)
0.59A 3ticC-4xhbA:
19.2
3ticC-4xhbA:
22.29
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.
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)
0.70A 3ticC-4yw5A:
20.4
3ticC-4yw5A:
20.70
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.
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)
0.54A 3ticC-5b2dA:
10.8
3ticC-5b2dA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9


(Staphylococcus
aureus)
PF13395
(HNH_4)
PF16592
(Cas9_REC)
5 ARG A  92
GLU A 179
ALA A 144
ASN A 141
TYR A 176
None
1.30A 3ticC-5czzA:
undetectable
3ticC-5czzA:
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.
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 3ticC-5nmiD:
undetectable
3ticC-5nmiD:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uou 2-OXO-4-HYDROXY-4-CA
RBOXY-5-UREIDOIMIDAZ
OLINE (OHCU)
DECARBOXYLASE


(Klebsiella
pneumoniae)
PF09349
(OHCU_decarbox)
5 ALA A 150
GLU A 147
GLU A 144
ARG A 136
TYR A 109
None
1.38A 3ticC-5uouA:
undetectable
3ticC-5uouA:
16.27
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.
5y7i CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 2


(Oreochromis
mossambicus)
no annotation 5 GLU A  88
ALA A 180
GLU A  87
ARG A  35
ASN A 183
None
1.18A 3ticC-5y7iA:
undetectable
3ticC-5y7iA:
9.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6br6 NEURAMINIDASE

(Influenza A
virus)
no annotation 12 ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
E3M  A 511 (-3.0A)
E3M  A 511 (-3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-3.1A)
E3M  A 511 (-2.3A)
E3M  A 511 ( 3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 ( 3.1A)
E3M  A 511 (-2.9A)
E3M  A 511 (-4.5A)
0.28A 3ticC-6br6A:
74.6
3ticC-6br6A:
90.00
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.
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 3ticC-6eksA:
20.9
3ticC-6eksA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6es9 ACYL-COA
DEHYDROGENASE


(Paracoccus
denitrificans)
no annotation 5 ARG A  73
GLU A 477
GLU A  70
GLU A 487
ARG A 548
None
1.31A 3ticC-6es9A:
undetectable
3ticC-6es9A:
9.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fel 14-3-3 PROTEIN GAMMA

(Homo sapiens)
no annotation 5 ARG A  61
GLU A 185
ARG A 132
ASN A 178
ARG A  57
None
1.13A 3ticC-6felA:
undetectable
3ticC-6felA:
10.06