SIMILAR PATTERNS OF AMINO ACIDS FOR 3CKZ_A_ZMRA469

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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  36
GLU A 231
ARG A 246
ARG A 315
TYR A 343
 None
 0.58A 3ckzA-1mz5A:
6.5		 3ckzA-1mz5A:
21.25
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) 		9 ARG N 118
GLU N 119
ARG N 152
GLU N 227
GLU N 276
GLU N 277
ARG N 292
ASN N 294
TYR N 406
 None
 0.62A 3ckzA-1nmbN:
63.2		 3ckzA-1nmbN:
42.83
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) 		9 ARG N 118
GLU N 119
ARG N 152
GLU N 227
GLU N 277
ARG N 292
ASN N 294
ARG N 371
TYR N 406
 None
 0.55A 3ckzA-1nmbN:
63.2		 3ckzA-1nmbN:
42.83
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) 		10 ARG A 124
GLU A 125
ARG A 158
GLU A 234
GLU A 283
GLU A 284
ARG A 299
ASN A 301
ARG A 378
TYR A 412
 None
 0.57A 3ckzA-1v0zA:
64.2		 3ckzA-1v0zA:
47.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		9 ARG A 116
GLU A 117
ARG A 150
GLU A 226
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 (-3.9A)
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
 0.50A 3ckzA-1vcjA:
53.0		 3ckzA-1vcjA:
34.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		6 ARG A 116
GLU A 117
ARG A 150
GLU A 275
GLU A 276
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.9A)
None
 1.24A 3ckzA-1vcjA:
53.0		 3ckzA-1vcjA:
34.84
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 3ckzA-1w8oA:
22.1		 3ckzA-1w8oA:
20.54
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 ARG A 119
GLU A 120
ARG A 153
GLU A 229
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 (-4.1A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.41A 3ckzA-1xogA:
63.7		 3ckzA-1xogA:
48.33
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) 		6 GLU A 120
ARG A 153
GLU A 229
GLU A 278
ARG A 294
ASN A 296
 ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-4.1A)
ABW  A1000 (-3.4A)
ABW  A1000 ( 4.0A)
 0.76A 3ckzA-1xogA:
63.7		 3ckzA-1xogA:
48.33
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 ARG A 266
GLU A 539
ARG A 555
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.43A 3ckzA-2bf6A:
12.9		 3ckzA-2bf6A:
20.22
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.
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 3ckzA-2f28A:
11.4		 3ckzA-2f28A:
22.51
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
ARG A 152
GLU A 227
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 None
 0.51A 3ckzA-2htvA:
70.0		 3ckzA-2htvA:
70.77
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 152
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 None
 0.50A 3ckzA-2htvA:
70.0		 3ckzA-2htvA:
70.77
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) 		6 GLU A 119
ARG A 152
GLU A 277
ARG A 292
ASN A 294
TYR A 406
 None
 1.01A 3ckzA-2htvA:
70.0		 3ckzA-2htvA:
70.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ARG A 347
GLU A 647
ARG A 663
ARG A 721
TYR A 752
 None
 0.50A 3ckzA-2w20A:
10.5		 3ckzA-2w20A:
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
 KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 0.39A 3ckzA-2xziA:
9.2		 3ckzA-2xziA:
21.66
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.
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
 1.26A 3ckzA-2yw2A:
undetectable		 3ckzA-2yw2A:
20.73
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.
3bwg UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YYDK

(Bacillus
subtilis) 		PF00392
(GntR)
PF07702
(UTRA) 		5 GLU A 185
GLU A 186
TYR A 215
TYR A 122
TYR A 136
 None
EDO  A 240 (-4.1A)
None
None
EDO  A 240 (-4.5A)
 1.35A 3ckzA-3bwgA:
undetectable		 3ckzA-3bwgA:
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.
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
 1.43A 3ckzA-3juuA:
undetectable		 3ckzA-3juuA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 3ckzA-3lp8A:
undetectable		 3ckzA-3lp8A:
21.66
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		5 ARG A  37
GLU A 231
ARG A 246
ARG A 309
TYR A 342
 PO4  A 499 (-2.7A)
GOL  A 402 (-3.3A)
PO4  A 499 (-2.7A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 0.51A 3ckzA-3silA:
20.3		 3ckzA-3silA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ARG A 152
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 347
ARG A 371
TYR A 406
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.6A)
LNV  A 901 (-4.0A)
LNV  A 901 (-3.4A)
LNV  A 901 (-2.9A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-2.8A)
LNV  A 901 (-4.0A)
LNV  A 901 ( 4.7A)
LNV  A 901 (-2.9A)
LNV  A 901 (-4.8A)
 0.33A 3ckzA-3ti8A:
69.9		 3ckzA-3ti8A:
57.25
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) 		10 ARG A 118
GLU A 119
ARG A 152
GLU A 227
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 (-3.9A)
LNV  A 801 (-3.5A)
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)
 0.37A 3ckzA-3tiaA:
63.9		 3ckzA-3tiaA:
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.
4ar9 COLLAGENASE COLT

(Clostridium
tetani) 		PF01752
(Peptidase_M9) 		5 GLU A 503
TYR A 487
GLU A 498
GLU A 499
TYR A 548
 None
None
None
ZN  A1731 (-2.6A)
None
 1.48A 3ckzA-4ar9A:
undetectable		 3ckzA-4ar9A:
22.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 ARG A 118
ARG A 152
GLU A 228
GLU A 277
GLU A 278
ARG A 293
ASN A 295
ARG A 368
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.9A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 ( 3.7A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.63A 3ckzA-4b7jA:
74.2		 3ckzA-4b7jA:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 ARG A 118
GLU A 119
ARG A 152
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 (-3.9A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 ( 3.7A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.39A 3ckzA-4b7jA:
74.2		 3ckzA-4b7jA:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 ARG A 223
GLU A 228
GLU A 278
ARG A 293
ARG A 368
TYR A 402
 G39  A1470 (-4.0A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 1.06A 3ckzA-4b7jA:
74.2		 3ckzA-4b7jA:
90.91
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) 		10 ARG A 115
GLU A 116
ARG A 149
GLU A 225
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 (-4.0A)
ZMR  A 700 (-3.5A)
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)
 0.39A 3ckzA-4cpnA:
53.7		 3ckzA-4cpnA:
32.83
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) 		6 GLU A 225
ARG A 149
GLU A 274
ARG A 291
ASN A 293
TYR A 408
 ZMR  A 700 (-3.5A)
ZMR  A 700 (-4.0A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-2.8A)
ZMR  A 700 ( 3.9A)
ZMR  A 700 (-4.6A)
 1.39A 3ckzA-4cpnA:
53.7		 3ckzA-4cpnA:
32.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 ARG A 200
GLU A 395
ARG A 411
ARG A 475
TYR A 506
 PO4  A 607 ( 2.6A)
PO4  A 607 ( 4.8A)
PO4  A 607 (-2.7A)
PO4  A 607 (-2.8A)
PO4  A 607 (-4.6A)
 0.45A 3ckzA-4fj6A:
13.0		 3ckzA-4fj6A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3ckzA-4fzhA:
22.7		 3ckzA-4fzhA:
20.98
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) 		9 ARG A 118
GLU A 119
ARG A 152
GLU A 227
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 (-3.8A)
None
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)
 0.42A 3ckzA-4h53A:
64.0		 3ckzA-4h53A:
47.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 GLU A 227
ARG A 152
GLU A 276
ARG A 292
ASN A 294
 None
SLB  A 512 (-3.8A)
SLB  A 512 (-2.8A)
SLB  A 512 (-3.1A)
SLB  A 512 ( 4.2A)
 1.17A 3ckzA-4h53A:
64.0		 3ckzA-4h53A:
47.98
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) 		7 ARG A 118
GLU A 119
ARG A 152
GLU A 227
GLU A 276
GLU A 277
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
G39  A 509 (-3.9A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-4.6A)
 0.76A 3ckzA-4hzzA:
63.8		 3ckzA-4hzzA:
46.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		8 ARG A 118
GLU A 119
ARG A 152
GLU A 227
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 (-3.9A)
None
G39  A 509 ( 4.0A)
G39  A 509 (-2.8A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
 0.21A 3ckzA-4hzzA:
63.8		 3ckzA-4hzzA:
46.82
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) 		7 GLU A 119
ARG A 152
GLU A 227
GLU A 276
GLU A 277
ASN A 294
TYR A 406
 G39  A 509 (-3.3A)
G39  A 509 (-3.9A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 ( 4.4A)
G39  A 509 (-4.6A)
 1.05A 3ckzA-4hzzA:
63.8		 3ckzA-4hzzA:
46.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.79A 3ckzA-4jf7D:
6.6		 3ckzA-4jf7D:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jz5 GP26

(Listeria phage
P40) 		PF01183
(Glyco_hydro_25) 		5 GLU A  99
TYR A 153
GLU A  98
ARG A  29
TYR A  60
 None
 1.41A 3ckzA-4jz5A:
undetectable		 3ckzA-4jz5A:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		8 ARG A 118
ARG A 152
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-4.2A)
27S  A 501 (-3.3A)
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)
 0.70A 3ckzA-4mjuA:
67.2		 3ckzA-4mjuA:
56.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 ARG A 118
ARG A 152
GLU A 227
GLU A 277
ARG A 292
ASN A 294
TYR A 347
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-4.2A)
27S  A 501 (-3.3A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.6A)
None
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.38A 3ckzA-4mjuA:
67.2		 3ckzA-4mjuA:
56.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 152
GLU A 119
TYR A 347
ARG A 371
TYR A 406
 27S  A 501 (-4.2A)
27S  A 501 (-3.4A)
None
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 1.24A 3ckzA-4mjuA:
67.2		 3ckzA-4mjuA:
56.85
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 GLU A 119
ARG A 152
GLU A 277
ARG A 292
ASN A 294
TYR A 406
 27S  A 501 (-3.4A)
27S  A 501 (-4.2A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.6A)
27S  A 501 (-4.6A)
 1.02A 3ckzA-4mjuA:
67.2		 3ckzA-4mjuA:
56.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovt TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		5 GLU A 208
ARG A 149
ASN A 209
TYR A 146
TYR A 105
 None
LFC  A 403 (-2.7A)
LFC  A 403 (-2.9A)
LFC  A 403 (-4.2A)
None
 1.39A 3ckzA-4ovtA:
undetectable		 3ckzA-4ovtA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ARG A 220
GLU A 415
ARG A 431
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
None
None
None
None
 0.43A 3ckzA-4q6kA:
11.3		 3ckzA-4q6kA:
21.82
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) 		10 ARG A  36
GLU A  37
ARG A  70
GLU A 146
GLU A 195
GLU A 196
ARG A 211
ASN A 213
ARG A 290
TYR A 324
 None
 0.63A 3ckzA-4qn3A:
64.0		 3ckzA-4qn3A:
45.27
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 293
GLU A 595
ARG A 611
ARG A 673
TYR A 713
 CNP  A 760 (-3.0A)
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.63A 3ckzA-4sliA:
12.6		 3ckzA-4sliA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ARG A 257
GLU A 559
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
3XR  A 802 ( 4.7A)
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.51A 3ckzA-4x6kA:
12.3		 3ckzA-4x6kA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.45A 3ckzA-4xhbA:
19.7		 3ckzA-4xhbA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 290
GLU A 584
ARG A 600
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
G39  A 801 ( 4.7A)
G39  A 801 (-2.9A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.43A 3ckzA-4yw5A:
12.1		 3ckzA-4yw5A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.55A 3ckzA-5b2dA:
22.1		 3ckzA-5b2dA:
23.16
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.
5exr DNA POLYMERASE ALPHA
SUBUNIT B

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		5 ARG D 545
GLU D 169
ARG D 597
ASN D 166
TYR D 546
 None
 1.27A 3ckzA-5exrD:
undetectable		 3ckzA-5exrD:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fql IDURONATE-2-SULFATAS
E

(Homo sapiens) 		PF00884
(Sulfatase) 		5 GLU A 341
TYR A 264
GLU A 344
ASN A 265
TYR A 348
 None
 1.37A 3ckzA-5fqlA:
undetectable		 3ckzA-5fqlA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jnz ALPHA CHAIN
BETA CHAIN

(Acipenser
stellatus) 		PF00042
(Globin) 		5 GLU A  34
TYR A 113
GLU A  27
ARG A  31
TYR B 122
 None
 1.38A 3ckzA-5jnzA:
undetectable		 3ckzA-5jnzA:
13.25
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 10 ARG A 118
GLU A 119
ARG A 152
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406
 E3M  A 511 (-3.0A)
E3M  A 511 (-3.6A)
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-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)
 0.40A 3ckzA-6br6A:
64.2		 3ckzA-6br6A:
14.14
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 ARG A 250
GLU A 645
ARG A 661
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-4.0A)
G39  A 908 (-2.8A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.32A 3ckzA-6eksA:
21.0		 3ckzA-6eksA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 3ckzA-6felA:
undetectable		 3ckzA-6felA:
11.65
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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 ASP A 267
ARG A 225
ILE A 354
ARG A 264
 None
 1.49A 3ckzA-1amyA:
undetectable		 3ckzA-1amyA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ASP A 493
ARG A 165
ILE A 495
ARG A 186
 None
 1.50A 3ckzA-1e1tA:
undetectable		 3ckzA-1e1tA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		4 ASP A 479
TRP A 476
ARG A 454
SER A 125
 None
 1.47A 3ckzA-1e4oA:
undetectable		 3ckzA-1e4oA:
16.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fvp FLAVOPROTEIN 390

(Photobacterium
phosphoreum) 		no annotation 4 ASP A  98
TRP A  96
ILE A 168
SER A 164
 None
 1.25A 3ckzA-1fvpA:
undetectable		 3ckzA-1fvpA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 ASP A 709
ARG A 473
TRP A 475
ILE A 504
 None
 1.43A 3ckzA-1lzxA:
undetectable		 3ckzA-1lzxA:
21.25
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 ASP N 151
ARG N 156
TRP N 178
ILE N 222
ARG N 224
 None
 0.85A 3ckzA-1nmbN:
63.2		 3ckzA-1nmbN:
42.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		4 ASP A  47
ARG A  99
ARG A  71
SER A 242
 None
 1.45A 3ckzA-1nnhA:
undetectable		 3ckzA-1nnhA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 ASP A 579
ARG A 525
ARG A 574
SER A 621
 None
 1.31A 3ckzA-1qgrA:
undetectable		 3ckzA-1qgrA:
16.65
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 ASP A 157
ARG A 162
TRP A 185
ILE A 229
ARG A 231
 None
 0.71A 3ckzA-1v0zA:
64.2		 3ckzA-1v0zA:
47.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		4 ASP A 149
TRP A 177
ILE A 221
ARG A 223
 IBA  A   1 (-3.6A)
None
IBA  A   1 ( 4.3A)
IBA  A   1 ( 4.5A)
 0.47A 3ckzA-1vcjA:
53.0		 3ckzA-1vcjA:
34.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		4 TRP A 177
ILE A 221
ARG A 223
SER A 244
 None
IBA  A   1 ( 4.3A)
IBA  A   1 ( 4.5A)
None
 1.19A 3ckzA-1vcjA:
53.0		 3ckzA-1vcjA:
34.84
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 ASP A 152
ARG A 157
TRP A 180
ILE A 224
ARG A 226
 ABW  A1000 (-3.7A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.7A)
None
 0.64A 3ckzA-1xogA:
63.7		 3ckzA-1xogA:
48.33
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.
1xq9 PHOSPHOGLYCERATE
MUTASE

(Plasmodium
falciparum) 		PF00300
(His_Phos_1) 		4 ARG A  70
TRP A  24
ARG A 140
SER A 102
 None
 1.19A 3ckzA-1xq9A:
undetectable		 3ckzA-1xq9A:
17.88
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.
2a4e CADHERIN-11

(Mus musculus) 		PF00028
(Cadherin) 		4 ASP A  79
ARG A  84
ILE A  28
SER A  30
 None
 1.39A 3ckzA-2a4eA:
undetectable		 3ckzA-2a4eA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bgh VINORINE SYNTHASE

(Rauvolfia
serpentina) 		PF02458
(Transferase) 		4 ARG A 195
ILE A 294
ARG A 279
SER A 167
 None
 1.39A 3ckzA-2bghA:
undetectable		 3ckzA-2bghA:
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.
2egg SHIKIMATE
5-DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 ASP A 206
ARG A 231
ILE A 235
ARG A 258
 None
 1.34A 3ckzA-2eggA:
undetectable		 3ckzA-2eggA:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ARG A 156
TRP A 178
ILE A 222
SER A 246
 None
 0.66A 3ckzA-2htvA:
70.0		 3ckzA-2htvA:
70.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 None
 0.74A 3ckzA-2htvA:
70.0		 3ckzA-2htvA:
70.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 TRP A 178
ILE A 222
ARG A 224
SER A 246
 None
 0.28A 3ckzA-2htvA:
70.0		 3ckzA-2htvA:
70.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		4 ASP A 410
ILE A 412
ARG A 642
SER A 107
 None
 1.38A 3ckzA-2i7xA:
undetectable		 3ckzA-2i7xA:
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.
2nn6 POLYMYOSITIS/SCLEROD
ERMA AUTOANTIGEN 1

(Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 ASP A 208
ARG A  27
ILE A 261
SER A 150
 None
 1.31A 3ckzA-2nn6A:
undetectable		 3ckzA-2nn6A:
17.80
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		4 ASP A 386
TRP A 342
ILE A 388
ARG A 391
 None
 1.36A 3ckzA-2pyxA:
undetectable		 3ckzA-2pyxA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 ASP A 497
ARG A 495
ARG A 502
SER A 611
 None
 1.42A 3ckzA-2v5dA:
undetectable		 3ckzA-2v5dA:
19.08
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.
2yug PROTEIN FRG1

(Mus musculus) 		PF06229
(FRG1) 		4 ARG A  73
TRP A 105
ILE A  86
SER A  88
 None
 1.37A 3ckzA-2yugA:
undetectable		 3ckzA-2yugA:
17.45
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.
2zet MELANOPHILIN
RAS-RELATED PROTEIN
RAB-27B

(Mus musculus) 		PF00071
(Ras)
PF02318
(FYVE_2) 		4 ASP A   7
ARG C  35
ILE C 115
ARG C 111
 None
 1.40A 3ckzA-2zetA:
undetectable		 3ckzA-2zetA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ASP A 135
ARG A 122
ILE A 161
SER A 173
 None
 1.12A 3ckzA-3c6mA:
2.1		 3ckzA-3c6mA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ckn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00535
(Glycos_transf_2) 		4 ASP A  79
ARG A 131
ILE A 134
ARG A  48
 None
 1.11A 3ckzA-3cknA:
undetectable		 3ckzA-3cknA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fay RAS
GTPASE-ACTIVATING-LI
KE PROTEIN IQGAP1

(Homo sapiens) 		PF00616
(RasGAP) 		4 ASP A1132
ARG A1136
ILE A1094
ARG A1130
 None
 1.41A 3ckzA-3fayA:
undetectable		 3ckzA-3fayA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l1c KINESIN-14 NCD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		4 ARG A 350
ILE A 411
ARG A 354
SER A 407
 None
None
ADP  A 998 (-2.9A)
None
 1.31A 3ckzA-3l1cA:
undetectable		 3ckzA-3l1cA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2k EHPF

(Pantoea
agglomerans) 		PF00501
(AMP-binding) 		4 ASP A 349
ARG A 310
ILE A 284
SER A 280
 None
 1.24A 3ckzA-3l2kA:
undetectable		 3ckzA-3l2kA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		4 ASP A 487
ARG A 266
ILE A 484
ARG A 492
 None
 1.09A 3ckzA-3nztA:
undetectable		 3ckzA-3nztA:
20.19
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.
3p24 BFT-3

(Bacteroides
fragilis) 		PF13583
(Reprolysin_4)
PF16376
(fragilysinNterm) 		4 ASP A  66
ARG A 116
ILE A 158
SER A 161
 None
 1.45A 3ckzA-3p24A:
undetectable		 3ckzA-3p24A:
22.57
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 ASP A 151
ARG A 156
TRP A 178
ILE A 222
ARG A 224
 LNV  A 901 (-3.4A)
LNV  A 901 (-4.0A)
None
None
LNV  A 901 (-4.1A)
 0.68A 3ckzA-3ti8A:
69.9		 3ckzA-3ti8A:
57.25
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 ASP A 151
ARG A 156
TRP A 178
ILE A 222
ARG A 224
 LNV  A 801 (-3.4A)
LNV  A 801 (-4.0A)
None
None
LNV  A 801 (-4.2A)
 0.67A 3ckzA-3tiaA:
63.9		 3ckzA-3tiaA:
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.
3up6 HYPOTHETICAL PROTEIN
BACOVA_04078

(Bacteroides
ovatus) 		no annotation 4 ARG A 223
ILE A 331
ARG A 279
SER A 208
 None
 1.45A 3ckzA-3up6A:
undetectable		 3ckzA-3up6A:
24.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ASP A 151
ARG A 156
TRP A 179
ARG A 225
SER A 247
 G39  A1470 (-3.7A)
None
None
G39  A1470 (-4.4A)
G39  A1470 ( 4.3A)
 0.74A 3ckzA-4b7jA:
74.2		 3ckzA-4b7jA:
90.91
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 ASP A 148
ARG A 153
TRP A 176
ILE A 220
ARG A 222
 ZMR  A 700 (-3.3A)
ZMR  A 700 (-4.2A)
None
None
ZMR  A 700 (-3.8A)
 0.72A 3ckzA-4cpnA:
53.7		 3ckzA-4cpnA:
32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		4 TRP A 176
ILE A 220
ARG A 222
SER A 243
 None
None
ZMR  A 700 (-3.8A)
None
 1.17A 3ckzA-4cpnA:
53.7		 3ckzA-4cpnA:
32.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e7w GLYCOGEN SYNTHASE
KINASE 3

(Ustilago maydis) 		PF00069
(Pkinase) 		4 ARG A 309
ILE A 198
ARG A 161
SER A 184
 None
PTR  A 197 ( 3.6A)
None
None
 1.42A 3ckzA-4e7wA:
undetectable		 3ckzA-4e7wA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 4 ASP A 425
ARG A 764
ILE A 443
ARG A 423
 None
 1.28A 3ckzA-4ecoA:
undetectable		 3ckzA-4ecoA:
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.
4frz KINESIN-LIKE
CALMODULIN-BINDING
PROTEIN

(Arabidopsis
thaliana) 		PF00225
(Kinesin) 		4 ASP A 950
ARG A 891
ARG A 895
SER A 943
 None
None
ADP  A1302 (-4.0A)
None
 1.13A 3ckzA-4frzA:
undetectable		 3ckzA-4frzA:
21.71
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 ASP A 151
ARG A 156
TRP A 178
ILE A 222
ARG A 224
 SLB  A 512 (-3.5A)
None
None
None
SLB  A 512 (-4.2A)
 0.68A 3ckzA-4h53A:
64.0		 3ckzA-4h53A:
47.98
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.
4hum PROTEIN B

(Escherichia
coli) 		PF00041
(fn3) 		4 ASP B  23
TRP B  22
ILE B  85
SER B   3
 None
 0.98A 3ckzA-4humB:
undetectable		 3ckzA-4humB:
15.14
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 ASP A 151
ARG A 156
TRP A 178
ILE A 222
ARG A 224
 G39  A 509 (-3.6A)
None
None
G39  A 509 ( 4.1A)
G39  A 509 (-4.7A)
 0.67A 3ckzA-4hzzA:
63.8		 3ckzA-4hzzA:
46.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE

(Streptococcus
pneumoniae) 		PF00232
(Glyco_hydro_1) 		4 ASP B 141
TRP B 139
ILE B 145
ARG B 142
 None
 1.48A 3ckzA-4ipnB:
undetectable		 3ckzA-4ipnB:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 4 ASP A 226
TRP A 231
ILE A 210
SER A 200
 None
 1.49A 3ckzA-4lgnA:
6.2		 3ckzA-4lgnA:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
ARG A 156
TRP A 178
ARG A 224
 27S  A 501 (-3.2A)
None
None
27S  A 501 (-4.3A)
 1.05A 3ckzA-4mjuA:
67.2		 3ckzA-4mjuA:
56.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 27S  A 501 (-3.2A)
None
27S  A 501 ( 4.6A)
27S  A 501 (-4.3A)
 0.70A 3ckzA-4mjuA:
67.2		 3ckzA-4mjuA:
56.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pwn SERINE/THREONINE-PRO
TEIN KINASE WNK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 400
ARG A 467
ILE A 346
ARG A 348
 None
 1.24A 3ckzA-4pwnA:
undetectable		 3ckzA-4pwnA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q69 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		4 ASP A  83
ARG A 313
ILE A  63
SER A  93
 None
 1.31A 3ckzA-4q69A:
undetectable		 3ckzA-4q69A:
22.20
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 ASP A  69
ARG A  74
TRP A  97
ILE A 141
ARG A 143
 None
 0.73A 3ckzA-4qn3A:
64.0		 3ckzA-4qn3A:
45.27
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 ASP A 447
ARG A  45
ILE A 449
SER A 528
 None
 1.49A 3ckzA-4uwaA:
undetectable		 3ckzA-4uwaA:
7.06
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		4 ARG A 153
ILE A 157
ARG A 161
SER A 198
 None
 1.28A 3ckzA-4yycA:
undetectable		 3ckzA-4yycA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a3m CEA1

(Komagataella
pastoris) 		PF10528
(GLEYA) 		4 ASP A  58
ARG A  75
ILE A  62
SER A 174
 None
PEG  A1243 (-3.6A)
None
None
 1.41A 3ckzA-5a3mA:
undetectable		 3ckzA-5a3mA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		4 ASP A 405
TRP A 433
ILE A 334
SER A 291
 NSQ  A1681 (-3.3A)
None
None
None
 1.36A 3ckzA-5aeeA:
2.0		 3ckzA-5aeeA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b57 HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Burkholderia
cenocepacia) 		PF00005
(ABC_tran) 		4 ASP C 166
ARG C 175
ILE C 125
SER C 119
 None
 1.37A 3ckzA-5b57C:
undetectable		 3ckzA-5b57C:
20.45
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		4 ASP A 459
ILE A 547
ARG A 463
SER A 554
 ZN  A 703 ( 2.9A)
SO4  A 712 (-3.4A)
SO4  A 712 ( 2.7A)
SO4  A 712 (-4.2A)
 1.20A 3ckzA-5cbmA:
undetectable		 3ckzA-5cbmA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156

(uncultured
organism) 		no annotation 4 ASP A 224
ARG A 251
ILE A 161
SER A 157
 None
 1.50A 3ckzA-5d8mA:
undetectable		 3ckzA-5d8mA:
19.34
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ASP A 289
ARG A 234
ILE A 291
SER A 295
 None
 1.10A 3ckzA-5epgA:
undetectable		 3ckzA-5epgA:
14.29
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 ASP A1133
ARG A1195
ILE A1207
SER A1211
 None
 1.39A 3ckzA-5hy7A:
undetectable		 3ckzA-5hy7A:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j98 VP2
VP3

(Slow bee
paralysis virus) 		PF00073
(Rhv) 		4 ASP C  46
TRP B  38
ILE C  48
ARG C  44
 None
 1.02A 3ckzA-5j98C:
undetectable		 3ckzA-5j98C:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lkd GLUTATHIONE
S-TRANSFERASE
OMEGA-LIKE 2

(Saccharomyces
cerevisiae) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ASP A 366
ARG A 313
ILE A 295
ARG A 296
 None
 1.24A 3ckzA-5lkdA:
undetectable		 3ckzA-5lkdA:
19.47
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.
5llb POLYPHOSPHATE KINASE
2

(Francisella
tularensis) 		no annotation 4 ASP C 226
ARG C 174
ILE C 260
ARG C 230
 None
 1.41A 3ckzA-5llbC:
undetectable		 3ckzA-5llbC:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		4 ASP A 140
ILE A 144
ARG A 289
SER A 299
 None
 1.48A 3ckzA-5mvdA:
undetectable		 3ckzA-5mvdA:
23.00
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.
5oh5 RIDL

(Legionella
pneumophila) 		no annotation 4 ASP A  69
TRP A  65
ILE A  22
SER A  25
 None
 1.25A 3ckzA-5oh5A:
undetectable		 3ckzA-5oh5A:
20.57
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.
5osh INTERAPTIN

(Legionella
pneumophila) 		no annotation 4 ASP C  69
TRP C  65
ILE C  22
SER C  25
 None
 1.34A 3ckzA-5oshC:
undetectable		 3ckzA-5oshC:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ot0 L-ASPARAGINASE

(Thermococcus
kodakarensis) 		no annotation 4 ASP A 121
ARG A 124
ILE A 115
SER A  14
 None
 0.96A 3ckzA-5ot0A:
undetectable		 3ckzA-5ot0A:
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 4 ASP A 129
ARG A 488
ILE A  90
SER A  58
 MG  A 601 (-2.9A)
KCX  A 130 ( 3.7A)
KCX  A 130 ( 4.5A)
None
 1.24A 3ckzA-5oynA:
undetectable		 3ckzA-5oynA:
11.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 ASP A1455
TRP A1456
ILE A1457
SER A1478
 None
 1.32A 3ckzA-5vadA:
undetectable		 3ckzA-5vadA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 4 ASP A 798
ARG A 802
ILE A 788
ARG A 753
 None
 1.07A 3ckzA-5ve8A:
undetectable		 3ckzA-5ve8A:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfl CATENIN ALPHA-2

(Mus musculus) 		no annotation 4 ASP A 534
ARG A 538
ILE A 593
SER A 597
 None
 1.36A 3ckzA-5xflA:
undetectable		 3ckzA-5xflA:
12.16
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 5 ASP A 151
ARG A 156
TRP A 178
ILE A 222
ARG A 224
 E3M  A 511 (-2.9A)
None
None
E3M  A 511 ( 4.3A)
E3M  A 511 (-3.8A)
 0.71A 3ckzA-6br6A:
64.2		 3ckzA-6br6A:
14.14
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.
6d3u ULVAN LYASE

(Nonlabens
ulvanivorans) 		no annotation 4 ASP A 253
TRP A 263
ILE A 265
SER A 274
 None
 1.39A 3ckzA-6d3uA:
undetectable		 3ckzA-6d3uA:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 4 ASP B 394
ARG B 463
TRP B 453
SER B  46
 None
 1.29A 3ckzA-6exvB:
undetectable		 3ckzA-6exvB:
11.26