SIMILAR PATTERNS OF AMINO ACIDS FOR 3K37_B_BCZB468_0

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) 		5 ARG A  35
ASP A  59
GLU A 230
ARG A 245
ARG A 314
 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)
 0.82A 3k37B-1ms8A:
23.3		 3k37B-1ms8A:
20.03
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  36
ASP A  60
GLU A 231
ARG A 246
ARG A 315
 None
 0.70A 3k37B-1mz5A:
24.1		 3k37B-1mz5A:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG N 118
GLU N 119
LEU N 134
ARG N 156
TRP N 178
ARG N 224
GLU N 227
ALA N 246
GLU N 277
ARG N 292
ARG N 371
 None
 0.63A 3k37B-1nmbN:
53.4		 3k37B-1nmbN:
30.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG N 118
GLU N 119
LEU N 134
ASP N 151
ARG N 156
TRP N 178
ARG N 224
GLU N 227
GLU N 277
ARG N 292
ARG N 371
 None
 0.73A 3k37B-1nmbN:
53.4		 3k37B-1nmbN:
30.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1otg 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
ISOMERASE

(Escherichia
coli) 		PF02962
(CHMI) 		5 ASP A  10
TRP A  46
GLU A  14
ALA A  60
GLU A  15
 None
 1.32A 3k37B-1otgA:
undetectable		 3k37B-1otgA:
14.71
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.
1sy7 CATALASE 1

(Neurospora
crassa) 		PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel) 		5 ASP A  71
ARG A  75
ARG A  77
GLU A  76
ALA A  52
 None
 1.49A 3k37B-1sy7A:
undetectable		 3k37B-1sy7A:
20.22
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
LEU A 140
ASP A 157
ARG A 162
TRP A 185
ARG A 231
GLU A 234
ALA A 253
GLU A 284
ARG A 299
ARG A 378
 None
 0.37A 3k37B-1v0zA:
53.8		 3k37B-1v0zA:
32.93
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.
1v4a GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 GLU A 113
LEU A 350
ARG A 371
ARG A 379
ALA A 108
 None
 1.29A 3k37B-1v4aA:
undetectable		 3k37B-1v4aA:
22.69
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) 		12 ARG A 116
GLU A 117
LEU A 132
ASP A 149
ARG A 154
TRP A 177
ARG A 223
GLU A 226
ALA A 245
GLU A 276
ARG A 292
ARG A 374
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
None
IBA  A   1 (-3.6A)
IBA  A   1 (-4.1A)
None
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 (-3.2A)
 0.56A 3k37B-1vcjA:
73.9		 3k37B-1vcjA:
93.83
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) 		12 ARG A 119
GLU A 120
LEU A 135
ASP A 152
ARG A 157
TRP A 180
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ARG A 372
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
None
ABW  A1000 (-3.7A)
ABW  A1000 (-4.2A)
None
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
 0.59A 3k37B-1xogA:
53.3		 3k37B-1xogA:
31.80
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 ARG A 266
ASP A 291
GLU A 539
ARG A 555
ARG A 615
 SIA  A1692 (-2.7A)
SIA  A1692 (-2.8A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
 0.54A 3k37B-2bf6A:
24.9		 3k37B-2bf6A:
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL
SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa;
Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 GLU A 224
ALA A 247
GLU A 223
ARG A 161
ARG B 123
 None
 1.44A 3k37B-2fpgA:
undetectable		 3k37B-2fpgA:
20.59
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
LEU A 134
ARG A 156
TRP A 178
ARG A 224
GLU A 227
GLU A 277
ARG A 292
ARG A 371
 None
 0.58A 3k37B-2htvA:
51.8		 3k37B-2htvA:
36.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 ARG A 118
LEU A 134
ASP A 151
TRP A 178
GLU A 227
GLU A 277
ARG A 371
 None
 0.70A 3k37B-2htvA:
51.8		 3k37B-2htvA:
36.14
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
LEU A 134
TRP A 178
ARG A 224
GLU A 277
ARG A 292
 None
 1.20A 3k37B-2htvA:
51.8		 3k37B-2htvA:
36.14
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.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLU A 128
ARG A 358
ALA A 346
GLU A 129
ARG A 136
 None
 1.43A 3k37B-2jisA:
undetectable		 3k37B-2jisA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lz1 NUCLEAR FACTOR
ERYTHROID 2-RELATED
FACTOR 2

(Homo sapiens) 		PF03131
(bZIP_Maf) 		5 ARG A  16
GLU A  18
LEU A  17
ARG A  84
ALA A  28
 None
 1.11A 3k37B-2lz1A:
undetectable		 3k37B-2lz1A:
16.49
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 GLU A  30
LEU A 216
ARG A  27
GLU A  31
ARG A 528
 None
 1.20A 3k37B-2qveA:
undetectable		 3k37B-2qveA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ARG A 347
ASP A 372
GLU A 647
ARG A 663
ARG A 721
 None
 0.63A 3k37B-2w20A:
24.9		 3k37B-2w20A:
21.97
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
 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)
 0.49A 3k37B-2xziA:
2.7		 3k37B-2xziA:
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		5 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.31A 3k37B-2yjqA:
undetectable		 3k37B-2yjqA:
20.76
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.
3aeh HEMOGLOBIN-BINDING
PROTEASE HBP
AUTOTRANSPORTER

(Escherichia
coli) 		PF03797
(Autotransporter) 		5 LEU A1139
ASP A1100
ARG A1121
GLU A1098
ALA A1228
 None
 1.46A 3k37B-3aehA:
undetectable		 3k37B-3aehA:
22.25
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) 		10 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 156
TRP A 178
GLU A 227
GLU A 277
ARG A 292
ARG A 371
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.4A)
None
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-2.9A)
 0.50A 3k37B-3ckzA:
53.6		 3k37B-3ckzA:
35.21
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) 		10 ARG A 118
GLU A 119
LEU A 134
ASP A 151
TRP A 178
ARG A 224
GLU A 227
GLU A 277
ARG A 292
ARG A 371
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-2.9A)
 0.32A 3k37B-3ckzA:
53.6		 3k37B-3ckzA:
35.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwz CATABOLITE
ACTIVATION-LIKE
PROTEIN

(Xanthomonas
campestris) 		PF00027
(cNMP_binding)
PF00325
(Crp) 		5 GLU A  88
LEU A 141
ARG A 144
ALA A 111
ARG A  98
 None
 1.48A 3k37B-3iwzA:
undetectable		 3k37B-3iwzA:
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 ARG A 358
GLU A 441
LEU A 362
ALA A 406
GLU A 442
 None
 1.36A 3k37B-3oksA:
undetectable		 3k37B-3oksA:
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.
3p9t REPRESSOR

(Stenotrophomonas
maltophilia) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		5 ARG A  13
ALA A  61
GLU A  14
ARG A  65
ARG A 105
 None
 1.30A 3k37B-3p9tA:
undetectable		 3k37B-3p9tA:
19.85
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		5 ARG A  37
ASP A  62
GLU A 231
ARG A 246
ARG A 309
 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)
 0.84A 3k37B-3silA:
23.5		 3k37B-3silA:
21.20
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
LEU A 134
ASP A 151
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.6A)
None
LNV  A 901 (-3.4A)
LNV  A 901 (-4.0A)
None
LNV  A 901 (-4.1A)
LNV  A 901 (-3.4A)
LNV  A 901 (-3.5A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-2.8A)
LNV  A 901 (-2.9A)
 0.34A 3k37B-3ti8A:
53.9		 3k37B-3ti8A:
35.59
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.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
None
LNV  A 801 (-3.4A)
LNV  A 801 (-4.0A)
None
LNV  A 801 (-4.2A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-3.8A)
LNV  A 801 (-3.0A)
LNV  A 801 (-2.9A)
 0.36A 3k37B-3tiaA:
55.1		 3k37B-3tiaA:
29.98
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 ASP A 283
ARG A 279
ALA A 315
GLU A 228
ARG A 314
 None
 1.24A 3k37B-4a7kA:
11.2		 3k37B-4a7kA:
17.20
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) 		5 ARG A 118
ASP A 151
ARG A 156
TRP A 179
ARG A 223
 G39  A1470 (-3.1A)
G39  A1470 (-3.7A)
None
None
G39  A1470 (-4.0A)
 1.36A 3k37B-4b7jA:
53.1		 3k37B-4b7jA:
33.55
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) 		11 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 156
TRP A 179
ARG A 225
GLU A 228
GLU A 278
ARG A 293
ARG A 368
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
None
G39  A1470 (-3.7A)
None
None
G39  A1470 (-4.4A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
 0.42A 3k37B-4b7jA:
53.1		 3k37B-4b7jA:
33.55
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.
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)
 1.43A 3k37B-4ckbA:
undetectable		 3k37B-4ckbA:
17.94
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
LEU A 131
ASP A 148
ARG A 153
TRP A 176
ARG A 222
GLU A 225
ALA A 244
GLU A 275
ARG A 291
ARG A 373
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
None
ZMR  A 700 (-3.3A)
ZMR  A 700 (-4.2A)
None
ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.8A)
ZMR  A 700 (-3.0A)
 0.30A 3k37B-4cpnA:
74.9		 3k37B-4cpnA:
97.23
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 ARG A 200
ASP A 225
GLU A 395
ARG A 411
ARG A 475
 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)
 0.58A 3k37B-4fj6A:
24.8		 3k37B-4fj6A:
21.02
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) 		12 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
None
SLB  A 512 (-3.5A)
None
None
SLB  A 512 (-4.2A)
None
SLB  A 512 (-3.3A)
SLB  A 512 (-2.7A)
SLB  A 512 (-3.1A)
SLB  A 512 (-2.9A)
 0.39A 3k37B-4h53A:
55.0		 3k37B-4h53A:
32.03
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) 		12 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
None
G39  A 509 (-3.6A)
None
None
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-2.8A)
G39  A 509 (-2.9A)
 0.43A 3k37B-4hzzA:
52.3		 3k37B-4hzzA:
34.31
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
LEU A 134
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371
 27S  A 501 (-3.0A)
None
None
None
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.1A)
 0.52A 3k37B-4mjuA:
52.1		 3k37B-4mjuA:
35.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 ARG A 118
LEU A 134
ASP A 151
ARG A 156
TRP A 178
GLU A 227
ARG A 371
 27S  A 501 (-3.0A)
None
27S  A 501 (-3.2A)
None
None
27S  A 501 (-3.3A)
27S  A 501 (-3.1A)
 0.76A 3k37B-4mjuA:
52.1		 3k37B-4mjuA:
35.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 GLU A 119
LEU A 134
TRP A 178
ARG A 224
ALA A 246
GLU A 277
ARG A 292
 27S  A 501 (-3.4A)
None
None
27S  A 501 (-4.3A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
 1.11A 3k37B-4mjuA:
52.1		 3k37B-4mjuA:
35.08
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.
4pc9 C4-DICARBOXYLATE
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN, PUTATIVE

(Roseobacter
denitrificans) 		PF03480
(DctP) 		5 ARG A 151
GLU A  94
LEU A 106
GLU A  75
ARG A 171
 CS2  A 401 (-3.0A)
CS2  A 401 (-2.5A)
None
CS2  A 401 (-2.8A)
CS2  A 401 (-2.9A)
 1.35A 3k37B-4pc9A:
undetectable		 3k37B-4pc9A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pc9 C4-DICARBOXYLATE
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN, PUTATIVE

(Roseobacter
denitrificans) 		PF03480
(DctP) 		5 GLU A  94
LEU A 106
ALA A  37
GLU A  75
ARG A 171
 CS2  A 401 (-2.5A)
None
None
CS2  A 401 (-2.8A)
CS2  A 401 (-2.9A)
 1.17A 3k37B-4pc9A:
undetectable		 3k37B-4pc9A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ARG A 220
ASP A 245
GLU A 415
ARG A 431
ARG A 495
 EDO  A 604 (-4.0A)
EDO  A 604 ( 4.3A)
None
None
None
 0.50A 3k37B-4q6kA:
24.8		 3k37B-4q6kA:
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.
4qiu NITRONATE
MONOOXYGENASE FAMILY
PROTEIN

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 GLU A 348
ARG A 334
ARG A 343
ALA A  35
GLU A 347
 None
 1.39A 3k37B-4qiuA:
undetectable		 3k37B-4qiuA:
19.06
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
LEU A  52
ASP A  69
ARG A  74
TRP A  97
ARG A 143
GLU A 146
ALA A 165
GLU A 196
ARG A 211
ARG A 290
 None
 0.44A 3k37B-4qn3A:
53.6		 3k37B-4qn3A:
32.37
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 293
ASP A 318
GLU A 595
ARG A 611
ARG A 673
 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)
 0.61A 3k37B-4sliA:
24.7		 3k37B-4sliA:
21.30
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.
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
 1.23A 3k37B-4txkA:
undetectable		 3k37B-4txkA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ARG A 257
ASP A 282
GLU A 559
ARG A 575
ARG A 637
 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)
 0.67A 3k37B-4x6kA:
21.3		 3k37B-4x6kA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
 0.68A 3k37B-4xhbA:
22.5		 3k37B-4xhbA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xym BETA SUBUNIT OF
ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13549
(ATP-grasp_5) 		5 ARG B  51
GLU B  44
ALA B  88
GLU B  43
ARG B  90
 None
 1.42A 3k37B-4xymB:
undetectable		 3k37B-4xymB:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 290
ASP A 315
GLU A 584
ARG A 600
ARG A 662
 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)
 0.79A 3k37B-4yw5A:
23.2		 3k37B-4yw5A:
20.44
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.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		5 ARG A   6
GLU A  77
LEU A  89
ARG A   8
ARG A  75
 None
 1.49A 3k37B-5i3aA:
undetectable		 3k37B-5i3aA:
19.60
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.
5iw4 NADH PYROPHOSPHATASE

(Escherichia
coli) 		PF00293
(NUDIX)
PF09297
(zf-NADH-PPase) 		5 ARG A 148
GLU A 219
LEU A 220
GLU A 178
GLU A 174
 NAD  A 501 ( 4.0A)
None
None
None
None
 1.45A 3k37B-5iw4A:
undetectable		 3k37B-5iw4A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1

(Homo sapiens) 		no annotation 5 ARG A 481
LEU A 310
ARG A 315
ALA A 423
ARG A 422
 None
 1.50A 3k37B-6bfnA:
undetectable		 3k37B-6bfnA:
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 12 ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371
 E3M  A 511 (-3.0A)
E3M  A 511 (-3.6A)
None
E3M  A 511 (-2.9A)
None
None
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-3.1A)
E3M  A 511 ( 3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 (-2.9A)
 0.45A 3k37B-6br6A:
54.4		 3k37B-6br6A:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 6 ARG A 250
ASP A 276
TRP A 337
GLU A 645
ARG A 661
ARG A 738
 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)
 0.69A 3k37B-6eksA:
13.7		 3k37B-6eksA:
19.84