SIMILAR PATTERNS OF AMINO ACIDS FOR 3TIC_A_ZMRA1002

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.
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 3ticA-1ms8A:
20.2		 3ticA-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
 0.61A 3ticA-1mz5A:
20.4		 3ticA-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) 		5 ARG N 118
GLU N 119
ASP N 151
ASN N 347
TYR N 406
 None
 1.17A 3ticA-1nmbN:
63.9		 3ticA-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) 		12 ARG N 118
GLU N 119
ASP N 151
TRP N 178
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 3ticA-1nmbN:
63.9		 3ticA-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
 1.28A 3ticA-1nmbN:
63.9		 3ticA-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 3ticA-1rzgA:
undetectable		 3ticA-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
TRP A 185
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
 0.44A 3ticA-1v0zA:
64.9		 3ticA-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
TRP A 177
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)
None
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
 0.55A 3ticA-1vcjA:
54.2		 3ticA-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
TRP A 177
GLU A 275
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.6A)
None
IBA  A   1 (-4.1A)
None
 1.28A 3ticA-1vcjA:
54.2		 3ticA-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)
 0.40A 3ticA-1w8oA:
21.9		 3ticA-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) 		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 3ticA-1xogA:
63.9		 3ticA-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) 		11 ARG A 119
GLU A 120
ASP A 152
TRP A 180
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)
 0.42A 3ticA-1xogA:
63.9		 3ticA-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 3ticA-1xogA:
63.9		 3ticA-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) 		11 GLU A 120
ASP A 152
TRP A 180
GLU A 229
ALA A 248
GLU A 278
GLU A 279
ARG A 294
ASN A 296
ARG A 372
TYR A 406
 ABW  A1000 (-3.7A)
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 (-2.8A)
ABW  A1000 (-4.9A)
 0.60A 3ticA-1xogA:
63.9		 3ticA-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)
 0.49A 3ticA-2bf6A:
8.6		 3ticA-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
 0.42A 3ticA-2f28A:
10.1		 3ticA-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
 1.47A 3ticA-2fpgA:
undetectable		 3ticA-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) 		8 ARG A 118
ASP A 151
TRP A 178
GLU A 227
GLU A 277
ASN A 294
ARG A 371
TYR A 406
 None
 0.63A 3ticA-2htvA:
62.6		 3ticA-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) 		9 ARG A 118
TRP A 178
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 None
 0.40A 3ticA-2htvA:
62.6		 3ticA-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) 		5 ASP A 151
TRP A 178
GLU A 119
ARG A 371
TYR A 406
 None
 1.40A 3ticA-2htvA:
62.6		 3ticA-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
TRP A 178
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 406
 None
 1.03A 3ticA-2htvA:
62.6		 3ticA-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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 ARG A 328
GLU A 229
ARG A 321
ASN A 266
TYR A 325
 None
 1.28A 3ticA-2qveA:
undetectable		 3ticA-2qveA:
22.55
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.
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 3ticA-2rhqB:
undetectable		 3ticA-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
 1.13A 3ticA-2vbiA:
undetectable		 3ticA-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)
 1.49A 3ticA-2vdwA:
undetectable		 3ticA-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 3ticA-2w20A:
21.6		 3ticA-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)
 0.40A 3ticA-2xziA:
8.1		 3ticA-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 3ticA-2yw2A:
undetectable		 3ticA-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
TRP A 178
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)
None
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)
 0.39A 3ticA-3ckzA:
64.0		 3ticA-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 3ticA-3ckzA:
64.0		 3ticA-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.
3juu PORPHYRANASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		5 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.45A 3ticA-3juuA:
undetectable		 3ticA-3juuA:
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.
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 3ticA-3lp8A:
undetectable		 3ticA-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
 1.48A 3ticA-3qfiA:
undetectable		 3ticA-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 3ticA-3silA:
12.8		 3ticA-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
TRP A 178
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)
None
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)
 0.18A 3ticA-3ti8A:
65.2		 3ticA-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
TRP A 178
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)
None
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)
 0.08A 3ticA-3tiaA:
76.6		 3ticA-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.
3wwk SNACLEC RHODOCYTIN
SUBUNIT ALPHA

(Calloselasma
rhodostoma) 		PF00059
(Lectin_C) 		5 GLU A 124
ASP A  27
TRP A  71
ALA A  76
ASN A  78
 None
 1.29A 3ticA-3wwkA:
undetectable		 3ticA-3wwkA:
13.73
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
TRP A 179
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
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.61A 3ticA-4b7jA:
64.0		 3ticA-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
TRP A 179
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)
None
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 ( 3.7A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.45A 3ticA-4b7jA:
64.0		 3ticA-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
 0.83A 3ticA-4bbwA:
8.1		 3ticA-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
 0.65A 3ticA-4bbwA:
8.1		 3ticA-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.
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)
 1.44A 3ticA-4ckbA:
undetectable		 3ticA-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) 		5 ALA A 244
GLU A 274
GLU A 275
ARG A 115
TYR A 408
 ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.9A)
ZMR  A 700 (-4.6A)
 1.48A 3ticA-4cpnA:
55.2		 3ticA-4cpnA:
30.14
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
TRP A 176
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)
None
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)
 0.45A 3ticA-4cpnA:
55.2		 3ticA-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 3ticA-4fj6A:
6.9		 3ticA-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 3ticA-4fzhA:
11.3		 3ticA-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
TRP A 178
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)
None
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 3ticA-4h53A:
76.4		 3ticA-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) 		10 ARG A 118
GLU A 119
ASP A 151
TRP A 178
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
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)
 0.59A 3ticA-4hzzA:
64.7		 3ticA-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
TRP A 178
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
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 3ticA-4hzzA:
64.7		 3ticA-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
TRP A 178
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)
None
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 3ticA-4hzzA:
64.7		 3ticA-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
 0.78A 3ticA-4jf7D:
11.8		 3ticA-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
 1.32A 3ticA-4melA:
undetectable		 3ticA-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) 		6 ARG A 118
ASP A 151
TRP A 178
GLU A 227
ALA A 246
ASN A 294
 27S  A 501 (-3.0A)
27S  A 501 (-3.2A)
None
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.6A)
 0.84A 3ticA-4mjuA:
62.7		 3ticA-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) 		10 ARG A 118
TRP A 178
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)
None
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)
 0.58A 3ticA-4mjuA:
62.7		 3ticA-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
TRP A 178
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 406
 27S  A 501 (-3.4A)
None
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)
 1.10A 3ticA-4mjuA:
62.7		 3ticA-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 3ticA-4n5fA:
undetectable		 3ticA-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
 0.45A 3ticA-4q6kA:
8.7		 3ticA-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
TRP A  97
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 3ticA-4qn3A:
64.4		 3ticA-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 3ticA-4sliA:
8.3		 3ticA-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)
 0.57A 3ticA-4sliA:
8.3		 3ticA-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
 1.14A 3ticA-4txkA:
undetectable		 3ticA-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)
 1.06A 3ticA-4x6kA:
7.7		 3ticA-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)
 0.60A 3ticA-4x6kA:
7.7		 3ticA-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) 		5 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.19A 3ticA-4xhbA:
7.9		 3ticA-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)
 0.58A 3ticA-4xhbA:
7.9		 3ticA-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)
 0.69A 3ticA-4yw5A:
7.5		 3ticA-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)
 0.53A 3ticA-5b2dA:
10.7		 3ticA-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 3ticA-5czzA:
undetectable		 3ticA-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
 1.45A 3ticA-5nmiD:
undetectable		 3ticA-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
 1.39A 3ticA-5uouA:
undetectable		 3ticA-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 3ticA-5y7iA:
undetectable		 3ticA-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
TRP A 178
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)
None
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)
 0.27A 3ticA-6br6A:
74.5		 3ticA-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 7 ARG A 250
ASP A 276
TRP A 337
GLU A 645
ARG A 661
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-3.3A)
None
G39  A 908 (-4.0A)
G39  A 908 (-2.8A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.65A 3ticA-6eksA:
21.0		 3ticA-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.
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
 1.12A 3ticA-6felA:
undetectable		 3ticA-6felA:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bu2 CYCLIN HOMOLOG

(Saimiriine
gammaherpesvirus
2) 		PF00134
(Cyclin_N)
PF09241
(Herp-Cyclin) 		4 LEU A  40
ARG A  52
ILE A  79
ARG A  82
 None
 1.48A 3ticA-1bu2A:
undetectable		 3ticA-1bu2A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 LEU C 310
ARG C 507
ILE C 290
ARG C 294
 None
 0.99A 3ticA-1d7wC:
undetectable		 3ticA-1d7wC:
21.69
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.
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF02854
(MIF4G)
PF09088
(MIF4G_like)
PF09090
(MIF4G_like_2) 		4 LEU C 229
ARG C 166
ARG C 206
ARG C 165
 None
 1.04A 3ticA-1h2tC:
undetectable		 3ticA-1h2tC:
20.14
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.
1hz4 MALT REGULATORY
PROTEIN

(Escherichia
coli) 		no annotation 4 LEU A 350
ARG A 357
ILE A 327
ARG A 360
 None
 1.27A 3ticA-1hz4A:
undetectable		 3ticA-1hz4A:
19.59
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 152
ARG N 156
ILE N 222
ARG N 224
 None
 0.35A 3ticA-1nmbN:
63.9		 3ticA-1nmbN:
47.07
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 158
ARG A 162
ILE A 229
ARG A 231
 None
 0.21A 3ticA-1v0zA:
64.9		 3ticA-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) 		5 LEU A 132
ARG A 150
ARG A 154
ILE A 221
ARG A 223
 None
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
IBA  A   1 ( 4.3A)
IBA  A   1 ( 4.5A)
 0.47A 3ticA-1vcjA:
54.2		 3ticA-1vcjA:
28.84
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 153
ARG A 157
ILE A 224
ARG A 226
 None
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
ABW  A1000 ( 4.7A)
None
 0.49A 3ticA-1xogA:
63.9		 3ticA-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.
1xty PEPTIDYL-TRNA
HYDROLASE

(Sulfolobus
solfataricus) 		PF01981
(PTH2) 		4 LEU A 117
ARG A  70
ILE A  97
ARG A   9
 None
None
None
SO4  A 807 (-2.7A)
 1.46A 3ticA-1xtyA:
undetectable		 3ticA-1xtyA:
12.66
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.
1zps PHOSPHORIBOSYL-AMP
CYCLOHYDROLASE

(Methanothermobacter
thermautotrophicus) 		PF01502
(PRA-CH) 		4 LEU A  66
ARG A  48
ARG A  49
ARG A  44
 None
 1.37A 3ticA-1zpsA:
undetectable		 3ticA-1zpsA:
16.05
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.
2c47 CASEIN KINASE 1
GAMMA 2 ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 297
ARG A 295
ILE A 276
ARG A 292
 None
 1.41A 3ticA-2c47A:
undetectable		 3ticA-2c47A:
20.97
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.
2dua PHOSPHONOPYRUVATE
HYDROLASE

(Variovorax sp.
Pal2) 		PF13714
(PEP_mutase) 		4 LEU A 159
ARG A 171
ILE A 131
ARG A 170
 None
 1.28A 3ticA-2duaA:
undetectable		 3ticA-2duaA:
18.79
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) 		5 LEU A 134
ARG A 152
ARG A 156
ILE A 222
ARG A 224
 None
 0.55A 3ticA-2htvA:
62.6		 3ticA-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.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 LEU A 383
ARG A 393
ILE A 376
ARG A 221
 None
 1.27A 3ticA-2ibuA:
undetectable		 3ticA-2ibuA:
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.
2icu HYPOTHETICAL PROTEIN
YEDK

(Escherichia
coli) 		PF02586
(SRAP) 		4 LEU A  61
ARG A 184
ARG A 180
ILE A 187
 None
 1.49A 3ticA-2icuA:
undetectable		 3ticA-2icuA:
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.
2nwb CONSERVED DOMAIN
PROTEIN

(Shewanella
oneidensis) 		PF08933
(DUF1864) 		4 ARG A 368
ARG A 369
ILE A 377
ARG A 374
 None
HEM  A 401 (-2.2A)
None
None
 1.45A 3ticA-2nwbA:
undetectable		 3ticA-2nwbA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oz8 MLL7089 PROTEIN

(Mesorhizobium
japonicum) 		PF13378
(MR_MLE_C) 		4 ARG A  15
ARG A 364
ILE A  19
ARG A  17
 None
 1.23A 3ticA-2oz8A:
undetectable		 3ticA-2oz8A:
22.11
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.
2ppy ENOYL-COA HYDRATASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		4 LEU A 121
ARG A 126
ILE A 181
ARG A 162
 None
 1.37A 3ticA-2ppyA:
undetectable		 3ticA-2ppyA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		4 LEU A 192
ARG A 227
ARG A 230
ARG A 202
 None
 1.41A 3ticA-2zieA:
undetectable		 3ticA-2zieA:
19.03
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.
3bby UNCHARACTERIZED
GST-LIKE PROTEIN
YFCF

(Escherichia
coli) 		PF13417
(GST_N_3)
PF14834
(GST_C_4) 		4 LEU A 134
ARG A 177
ARG A 120
ARG A 117
 None
 1.40A 3ticA-3bbyA:
undetectable		 3ticA-3bbyA:
16.37
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 LEU A 134
ARG A 152
ARG A 156
ILE A 222
ARG A 224
 None
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
None
ZMR  A 469 (-4.4A)
 0.66A 3ticA-3ckzA:
64.0		 3ticA-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.
3dr8 YNCA

(Salmonella
enterica) 		PF13420
(Acetyltransf_4) 		4 LEU A 134
ARG A  98
ILE A   3
ARG A 103
 None
 1.14A 3ticA-3dr8A:
undetectable		 3ticA-3dr8A:
15.33
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.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 LEU A3430
ARG A3428
ILE A3391
ARG A3425
 None
 1.23A 3ticA-3hwcA:
undetectable		 3ticA-3hwcA:
20.47
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		4 LEU A 269
ARG A 266
ILE A 484
ARG A 492
 None
 1.22A 3ticA-3nztA:
undetectable		 3ticA-3nztA:
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.
3qka ENOYL-COA HYDRATASE,
ECHA5

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		4 LEU A 113
ARG A 118
ILE A 172
ARG A 153
 None
 1.41A 3ticA-3qkaA:
undetectable		 3ticA-3qkaA:
18.80
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.
3r9q ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		4 LEU A 117
ARG A 122
ILE A 176
ARG A 157
 None
 1.40A 3ticA-3r9qA:
undetectable		 3ticA-3r9qA:
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.
3sll PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		4 LEU A 122
ARG A 127
ILE A 182
ARG A 163
 GOL  A 270 (-4.6A)
GOL  A 270 (-3.0A)
None
None
 1.37A 3ticA-3sllA:
undetectable		 3ticA-3sllA:
20.13
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 152
ARG A 156
ILE A 222
ARG A 224
 None
LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
None
LNV  A 901 (-4.1A)
 0.11A 3ticA-3ti8A:
65.2		 3ticA-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) 		5 LEU A 134
ARG A 152
ARG A 156
ILE A 222
ARG A 224
 None
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
None
LNV  A 801 (-4.2A)
 0.06A 3ticA-3tiaA:
76.6		 3ticA-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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		4 LEU A 112
ARG A 121
ARG A 116
ILE A 196
 None
 1.19A 3ticA-3u7vA:
undetectable		 3ticA-3u7vA:
21.20
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 152
ARG A 156
ARG A 225
 None
G39  A1470 (-3.9A)
None
G39  A1470 (-4.4A)
 0.26A 3ticA-4b7jA:
64.0		 3ticA-4b7jA:
45.55
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 149
ARG A 153
ILE A 220
ARG A 222
 None
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
None
ZMR  A 700 (-3.8A)
 0.22A 3ticA-4cpnA:
55.2		 3ticA-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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		4 LEU A 115
ARG A 124
ARG A 119
ILE A 198
 None
 1.22A 3ticA-4d1iA:
undetectable		 3ticA-4d1iA:
19.43
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 152
ARG A 156
ILE A 222
ARG A 224
 None
SLB  A 512 (-3.8A)
None
None
SLB  A 512 (-4.2A)
 0.08A 3ticA-4h53A:
76.4		 3ticA-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) 		5 LEU A 134
ARG A 152
ARG A 156
ILE A 222
ARG A 224
 None
G39  A 509 (-3.9A)
None
G39  A 509 ( 4.1A)
G39  A 509 (-4.7A)
 0.18A 3ticA-4hzzA:
64.7		 3ticA-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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 LEU A 157
ARG A 114
ILE A 262
ARG A 266
 None
 1.25A 3ticA-4ineA:
undetectable		 3ticA-4ineA:
20.66
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.
4jbb PUTATIVE GLUTATHIONE
S-TRANSFERASE

(Klebsiella
pneumoniae) 		PF13417
(GST_N_3)
PF14834
(GST_C_4) 		4 LEU A 134
ARG A 177
ARG A 120
ARG A 117
 None
FMT  A 302 (-2.9A)
None
None
 1.19A 3ticA-4jbbA:
undetectable		 3ticA-4jbbA:
18.20
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 152
ARG A 156
ILE A 222
ARG A 224
 None
27S  A 501 (-4.2A)
None
27S  A 501 ( 4.6A)
27S  A 501 (-4.3A)
 0.57A 3ticA-4mjuA:
62.7		 3ticA-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.
4mp4 GLUTATHIONE
S-TRANSFERASE

(Acinetobacter
baumannii) 		PF13417
(GST_N_3)
PF14834
(GST_C_4) 		4 LEU A 132
ARG A 175
ARG A 118
ARG A 115
 None
 1.49A 3ticA-4mp4A:
undetectable		 3ticA-4mp4A:
17.37
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.
4nt4 GILGAMESH, ISOFORM I

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 LEU A 300
ARG A 298
ILE A 279
ARG A 295
 None
 1.23A 3ticA-4nt4A:
undetectable		 3ticA-4nt4A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		4 LEU A 224
ARG A 221
ILE A 175
ARG A 233
 None
 1.16A 3ticA-4oc9A:
undetectable		 3ticA-4oc9A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 177
ARG A 172
ILE A 100
ARG A 105
 None
 1.31A 3ticA-4oqjA:
undetectable		 3ticA-4oqjA:
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.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		4 LEU A 320
ARG A 326
ILE A 306
ARG A 333
 None
 1.34A 3ticA-4px9A:
undetectable		 3ticA-4px9A:
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.
4qfe ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 LEU A 113
ARG A 118
ILE A 172
ARG A 153
 None
 1.41A 3ticA-4qfeA:
undetectable		 3ticA-4qfeA:
18.98
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 LEU B 427
ARG B 429
ILE B 652
ARG B 440
 None
 1.16A 3ticA-4qiwB:
undetectable		 3ticA-4qiwB:
17.40
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  70
ARG A  74
ILE A 141
ARG A 143
 None
 0.22A 3ticA-4qn3A:
64.4		 3ticA-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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 LEU A 519
ARG A 738
ARG A 496
ILE A 742
 None
 1.49A 3ticA-5by3A:
undetectable		 3ticA-5by3A:
20.15
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.
5e0n ENOYL-COA
HYDRATASE/ISOMERASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 LEU X 126
ARG X 131
ILE X 186
ARG X 167
 None
 1.27A 3ticA-5e0nX:
undetectable		 3ticA-5e0nX:
20.00
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.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 LEU A 320
ARG A 326
ILE A 306
ARG A 333
 None
 1.36A 3ticA-5e7jA:
undetectable		 3ticA-5e7jA:
20.58
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 4 LEU A 442
ARG A 361
ILE A 337
ARG A 339
 None
 1.36A 3ticA-5fkrA:
4.2		 3ticA-5fkrA:
21.23
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.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF03071
(GNT-I)
PF15711
(ILEI) 		4 LEU A 457
ARG A 485
ARG A 488
ARG A 480
 None
 1.32A 3ticA-5gggA:
undetectable		 3ticA-5gggA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h4v GLUTAMATE--TRNA
LIGASE

(Xanthomonas
oryzae) 		no annotation 4 LEU A 368
ARG A 456
ILE A 441
ARG A 429
 None
 1.04A 3ticA-5h4vA:
undetectable		 3ticA-5h4vA:
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		4 LEU A 381
ARG A 285
ILE A 287
ARG A 298
 None
 1.37A 3ticA-5hkjA:
undetectable		 3ticA-5hkjA:
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.
5j39 TUDOR AND KH
DOMAIN-CONTAINING
PROTEIN

(Homo sapiens) 		PF00567
(TUDOR) 		4 LEU A 412
ARG A 329
ILE A 417
ARG A 301
 None
 1.35A 3ticA-5j39A:
undetectable		 3ticA-5j39A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 LEU A 476
ARG A 673
ILE A 456
ARG A 460
 None
 1.04A 3ticA-5mfaA:
undetectable		 3ticA-5mfaA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5opt RIBOSOMAL PROTEIN
S19, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 LEU o 116
ARG o  73
ILE o 108
ARG o 111
 None
U  E2028 ( 3.0A)
None
A  E2031 ( 3.4A)
 1.43A 3ticA-5opto:
undetectable		 3ticA-5opto:
19.35
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.
5w0x TIP41-LIKE PROTEIN

(Mus musculus) 		no annotation 4 LEU A 182
ARG A 217
ARG A 184
ILE A 244
 None
 1.43A 3ticA-5w0xA:
undetectable		 3ticA-5w0xA:
9.93
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 4 LEU A 441
ARG A 494
ILE A 323
ARG A 319
 None
 1.43A 3ticA-5yv5A:
undetectable		 3ticA-5yv5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 LEU A 476
ARG A 673
ILE A 456
ARG A 460
 None
 1.00A 3ticA-6azpA:
undetectable		 3ticA-6azpA:
12.24
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 5 LEU A 134
ARG A 152
ARG A 156
ILE A 222
ARG A 224
 None
E3M  A 511 (-3.8A)
None
E3M  A 511 ( 4.3A)
E3M  A 511 (-3.8A)
 0.13A 3ticA-6br6A:
74.5		 3ticA-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.
6bzh PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Mus musculus) 		no annotation 4 LEU A 124
ARG A 143
ARG A 140
ARG A 148
 None
 1.29A 3ticA-6bzhA:
undetectable		 3ticA-6bzhA:
10.42
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.
6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4

(Homo sapiens) 		no annotation 4 LEU A  61
ARG B  35
ARG B  36
ILE B  46
 LEU  A  61 ( 0.6A)
ARG  B  35 ( 0.6A)
ARG  B  36 ( 0.6A)
ILE  B  46 ( 0.7A)
 1.43A 3ticA-6c0wA:
undetectable		 3ticA-6c0wA:
9.89