SIMILAR PATTERNS OF AMINO ACIDS FOR 2HTQ_A_ZMRA472

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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 GLU A 383
ARG A 235
ARG A 353
GLU A 382
ALA A 372
 None
FAD  A1031 (-2.8A)
None
None
None
 1.45A 2htqA-1h7wA:
undetectable		 2htqA-1h7wA:
17.42
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.
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
 0.77A 2htqA-1mz5A:
11.4		 2htqA-1mz5A:
20.69
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
ARG N 152
ARG N 156
GLU N 227
ALA N 246
GLU N 276
GLU N 277
ARG N 292
ARG N 371
TYR N 406
 None
 0.76A 2htqA-1nmbN:
61.5		 2htqA-1nmbN:
37.72
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) 		11 ARG A 124
GLU A 125
ARG A 158
ARG A 162
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
ARG A 378
TYR A 412
 None
 0.62A 2htqA-1v0zA:
62.9		 2htqA-1v0zA:
46.70
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) 		10 ARG A 116
GLU A 117
ARG A 150
ARG A 154
GLU A 226
ALA A 245
GLU A 276
ARG A 292
ARG A 374
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 (-3.2A)
None
 0.62A 2htqA-1vcjA:
52.2		 2htqA-1vcjA:
35.14
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
ARG A 374
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 (-3.2A)
None
 1.22A 2htqA-1vcjA:
52.2		 2htqA-1vcjA:
35.14
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.
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)
 0.66A 2htqA-1w8oA:
22.3		 2htqA-1w8oA:
20.55
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
ARG A 153
ARG A 157
GLU A 229
ALA A 248
GLU A 278
GLU A 279
ARG A 294
ARG A 372
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.69A 2htqA-1xogA:
62.7		 2htqA-1xogA:
43.33
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 GLU A 123
ARG A 201
ARG B 575
GLU A 107
TYR B 492
 None
 1.48A 2htqA-2amcA:
undetectable		 2htqA-2amcA:
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.
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)
 0.64A 2htqA-2bf6A:
12.8		 2htqA-2bf6A:
23.59
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.
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
 0.63A 2htqA-2f28A:
21.5		 2htqA-2f28A:
21.00
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL
SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF08442
(ATP-grasp_2) 		5 GLU A 224
ALA A 247
GLU A 223
ARG A 161
ARG B 123
 None
 1.44A 2htqA-2fpgA:
undetectable		 2htqA-2fpgA:
22.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 ARG A 118
ARG A 152
ARG A 156
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 None
 0.59A 2htqA-2htvA:
66.2		 2htqA-2htvA:
59.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 GLU A 119
ARG A 152
ARG A 156
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 None
 1.12A 2htqA-2htvA:
66.2		 2htqA-2htvA:
59.44
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.
2on5 NA GLUTATHIONE
S-TRANSFERASE 2

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ARG A  33
GLU A  16
ALA A 169
GLU A 162
ARG A 189
 None
 1.42A 2htqA-2on5A:
undetectable		 2htqA-2on5A:
19.28
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.
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
 0.68A 2htqA-2w20A:
22.3		 2htqA-2w20A:
22.86
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.
2w4e MUTT/NUDIX FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		5 ARG A  81
GLU A 113
GLU A 112
GLU A 109
ARG A 108
 None
 1.46A 2htqA-2w4eA:
undetectable		 2htqA-2w4eA:
17.31
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.
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)
 0.63A 2htqA-2xziA:
21.4		 2htqA-2xziA:
22.35
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
ARG A 152
ARG A 156
GLU A 227
GLU A 276
GLU A 277
ARG A 292
TYR A 347
ARG A 371
TYR A 406
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 ( 4.8A)
ZMR  A 469 (-2.9A)
ZMR  A 469 (-4.7A)
 0.66A 2htqA-3ckzA:
67.4		 2htqA-3ckzA:
56.33
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.
3fii BOTULINUM NEUROTOXIN
TYPE F

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 GLU A 200
GLU A 353
ARG A 365
TYR A 368
TYR A 372
 None
None
None
00C  B  58 (-4.8A)
None
 1.46A 2htqA-3fiiA:
undetectable		 2htqA-3fiiA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 GLU A 555
ARG A 623
GLU A 535
ARG A 604
TYR A 557
 None
 1.35A 2htqA-3kt4A:
undetectable		 2htqA-3kt4A:
19.57
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.
3mpi GLUTARYL-COA
DEHYDROGENASE

(Desulfococcus
multivorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ARG A  17
GLU A  78
ALA A 257
GLU A  77
ARG A 299
 None
 1.45A 2htqA-3mpiA:
undetectable		 2htqA-3mpiA:
19.57
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.
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)
 0.74A 2htqA-3silA:
11.9		 2htqA-3silA:
23.36
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
ARG A 152
ARG A 156
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
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 (-4.0A)
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 ( 4.7A)
LNV  A 901 (-2.9A)
LNV  A 901 (-4.8A)
 0.52A 2htqA-3ti8A:
71.8		 2htqA-3ti8A:
69.62
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) 		11 ARG A 118
GLU A 119
ARG A 152
ARG A 156
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-2.9A)
LNV  A 801 (-3.8A)
LNV  A 801 (-3.0A)
LNV  A 801 (-2.9A)
LNV  A 801 (-4.4A)
 0.49A 2htqA-3tiaA:
62.8		 2htqA-3tiaA:
41.85
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
ARG A 152
ARG A 156
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 (-3.9A)
None
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.67A 2htqA-4b7jA:
67.2		 2htqA-4b7jA:
53.00
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 223
GLU A 278
ARG A 293
ARG A 368
TYR A 402
 G39  A1470 (-4.0A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 1.13A 2htqA-4b7jA:
67.2		 2htqA-4b7jA:
53.00
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.
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
 0.83A 2htqA-4bbwA:
6.4		 2htqA-4bbwA:
20.58
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)
 1.33A 2htqA-4cpnA:
52.7		 2htqA-4cpnA:
31.81
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) 		11 ARG A 115
GLU A 116
ARG A 149
ARG A 153
GLU A 225
ALA A 244
GLU A 274
GLU A 275
ARG A 291
ARG A 373
TYR A 408
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.8A)
ZMR  A 700 (-3.0A)
ZMR  A 700 (-4.6A)
 0.60A 2htqA-4cpnA:
52.7		 2htqA-4cpnA:
31.81
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 ARG A 291
GLU A 275
GLU A 225
ALA A 440
GLU A 116
 ZMR  A 700 (-2.8A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-3.5A)
None
ZMR  A 700 (-3.5A)
 1.48A 2htqA-4cpnA:
52.7		 2htqA-4cpnA:
31.81
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.
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)
 0.68A 2htqA-4fj6A:
13.0		 2htqA-4fj6A:
20.75
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.
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
 0.83A 2htqA-4fzhA:
16.4		 2htqA-4fzhA:
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.
4g9q 4-CARBOXYMUCONOLACTO
NE DECARBOXYLASE

(Sinorhizobium
meliloti) 		PF02627
(CMD) 		5 ARG A  46
GLU A 217
ARG A  54
GLU A 213
ALA A 238
 None
 1.21A 2htqA-4g9qA:
undetectable		 2htqA-4g9qA:
20.00
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) 		10 ARG A 118
GLU A 119
ARG A 152
ARG A 156
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
SLB  A 512 (-3.8A)
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 (-2.9A)
 0.50A 2htqA-4h53A:
63.1		 2htqA-4h53A:
47.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ARG A 152
ARG A 156
GLU A 227
ALA A 246
GLU A 276
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
None
G39  A 509 ( 4.1A)
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)
 0.72A 2htqA-4hzzA:
62.3		 2htqA-4hzzA:
45.98
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 5 ARG D 163
GLU D 390
ARG D 405
ARG D 495
TYR D 523
 SO4  D 608 ( 4.1A)
None
SO4  D 608 (-2.6A)
SO4  D 608 (-3.3A)
None
 0.63A 2htqA-4jf7D:
6.1		 2htqA-4jf7D:
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.
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
 1.28A 2htqA-4melA:
undetectable		 2htqA-4melA:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 ARG A 118
ARG A 152
ARG A 156
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-4.2A)
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 (-3.1A)
27S  A 501 (-4.6A)
 0.75A 2htqA-4mjuA:
72.0		 2htqA-4mjuA:
98.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 ARG A 118
ARG A 152
ARG A 156
GLU A 227
ALA A 246
GLU A 277
ARG A 292
TYR A 347
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-4.2A)
None
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
None
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.71A 2htqA-4mjuA:
72.0		 2htqA-4mjuA:
98.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		7 GLU A 119
ARG A 152
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 27S  A 501 (-3.4A)
27S  A 501 (-4.2A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 1.16A 2htqA-4mjuA:
72.0		 2htqA-4mjuA:
98.71
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.
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
 0.61A 2htqA-4q6kA:
12.5		 2htqA-4q6kA:
21.35
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) 		11 ARG A  36
GLU A  37
ARG A  70
ARG A  74
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
ARG A 290
TYR A 324
 None
 0.62A 2htqA-4qn3A:
62.6		 2htqA-4qn3A:
44.64
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.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 5 GLU A 100
ALA A 287
ARG A 218
TYR A 285
TYR A 301
 None
None
HEM  A 807 (-3.8A)
SO2  A 814 (-4.8A)
HEM  A 807 ( 3.8A)
 1.44A 2htqA-4rkmA:
undetectable		 2htqA-4rkmA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.22A 2htqA-4sliA:
10.9		 2htqA-4sliA:
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.
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)
 0.76A 2htqA-4sliA:
10.9		 2htqA-4sliA:
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.
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 2htqA-4txkA:
undetectable		 2htqA-4txkA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.18A 2htqA-4x6kA:
18.8		 2htqA-4x6kA:
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.
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)
 1.37A 2htqA-4xhbA:
12.5		 2htqA-4xhbA:
21.15
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.
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)
 0.70A 2htqA-4xhbA:
12.5		 2htqA-4xhbA:
21.15
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 GLU C 400
ARG C 404
ARG C 457
TYR C 481
TYR C 496
 None
 1.39A 2htqA-4yfaC:
undetectable		 2htqA-4yfaC:
21.08
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.
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)
 0.69A 2htqA-4yw5A:
10.2		 2htqA-4yw5A:
20.83
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.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		5 ARG A 180
GLU A 407
ARG A 422
ARG A 512
TYR A 540
 SLT  A 606 (-2.6A)
SLT  A 606 (-3.8A)
SLT  A 606 (-3.0A)
SLT  A 606 (-2.8A)
SLT  A 606 (-4.7A)
 0.54A 2htqA-5b2dA:
5.6		 2htqA-5b2dA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 GLU A 602
ARG A 606
ARG A 659
TYR A 683
TYR A 698
 None
 1.40A 2htqA-5c9iA:
undetectable		 2htqA-5c9iA:
19.58
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.
5ig0 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF08332
(CaMKII_AD) 		5 GLU A 383
GLU A 385
ALA A 364
ARG A 433
ARG A 452
 SO4  A 501 (-3.6A)
GOL  A 502 (-2.5A)
None
SO4  A 501 ( 3.8A)
SO4  A 501 (-2.9A)
 1.45A 2htqA-5ig0A:
undetectable		 2htqA-5ig0A:
17.27
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 GLU A 157
GLU A 132
GLU A 156
ARG A 136
ARG A 149
 None
 1.35A 2htqA-5jxrA:
undetectable		 2htqA-5jxrA:
18.46
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.
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
 1.40A 2htqA-5nmiD:
undetectable		 2htqA-5nmiD:
19.14
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 11 ARG A 118
GLU A 119
ARG A 152
ARG A 156
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406
 E3M  A 511 (-3.0A)
E3M  A 511 (-3.6A)
E3M  A 511 (-3.8A)
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 (-2.9A)
E3M  A 511 (-4.5A)
 0.51A 2htqA-6br6A:
63.2		 2htqA-6br6A:
13.60
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.
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)
 0.55A 2htqA-6eksA:
21.3		 2htqA-6eksA:
19.55
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		4 ASP A 204
TRP A 224
ILE A 248
ARG A 203
 None
 1.36A 2htqA-1lgyA:
undetectable		 2htqA-1lgyA:
22.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP N 151
TRP N 178
ILE N 222
ARG N 224
 None
 0.79A 2htqA-1nmbN:
61.5		 2htqA-1nmbN:
37.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 157
TRP A 185
ILE A 229
ARG A 231
 None
 0.40A 2htqA-1v0zA:
62.9		 2htqA-1v0zA:
46.70
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)
 0.54A 2htqA-1vcjA:
52.2		 2htqA-1vcjA:
35.14
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.
1vdk FUMARATE HYDRATASE
CLASS II

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ASP A 294
TRP A 297
ILE A 306
ARG A 186
 None
 1.48A 2htqA-1vdkA:
undetectable		 2htqA-1vdkA:
19.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 152
TRP A 180
ILE A 224
ARG A 226
 ABW  A1000 (-3.7A)
None
ABW  A1000 ( 4.7A)
None
 0.42A 2htqA-1xogA:
62.7		 2htqA-1xogA:
43.33
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.
2fus FUMARASE C

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ASP A 294
TRP A 297
ILE A 306
ARG A 186
 None
 1.39A 2htqA-2fusA:
undetectable		 2htqA-2fusA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.45A 2htqA-2pyxA:
undetectable		 2htqA-2pyxA:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 ZMR  A 469 (-3.5A)
None
None
ZMR  A 469 (-4.4A)
 0.36A 2htqA-3ckzA:
67.4		 2htqA-3ckzA:
56.33
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 370
TRP A  37
ILE A   9
ARG A 375
 None
 1.28A 2htqA-3rcyA:
undetectable		 2htqA-3rcyA:
18.88
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 370
TRP A  37
ILE A   9
ARG A 375
 None
 1.32A 2htqA-3t4wA:
undetectable		 2htqA-3t4wA:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 LNV  A 901 (-3.4A)
None
None
LNV  A 901 (-4.1A)
 0.30A 2htqA-3ti8A:
71.8		 2htqA-3ti8A:
69.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 LNV  A 801 (-3.4A)
None
None
LNV  A 801 (-4.2A)
 0.33A 2htqA-3tiaA:
62.8		 2htqA-3tiaA:
41.85
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 ASP A 148
TRP A 176
ILE A 220
ARG A 222
 ZMR  A 700 (-3.3A)
None
None
ZMR  A 700 (-3.8A)
 0.43A 2htqA-4cpnA:
52.7		 2htqA-4cpnA:
31.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 SLB  A 512 (-3.5A)
None
None
SLB  A 512 (-4.2A)
 0.37A 2htqA-4h53A:
63.1		 2htqA-4h53A:
47.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 G39  A 509 (-3.6A)
None
G39  A 509 ( 4.1A)
G39  A 509 (-4.7A)
 0.37A 2htqA-4hzzA:
62.3		 2htqA-4hzzA:
45.98
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.
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
 1.39A 2htqA-4ipnB:
undetectable		 2htqA-4ipnB:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l3w LIPASE

(Rhizopus
microsporus) 		PF01764
(Lipase_3) 		4 ASP A 231
TRP A 251
ILE A 275
ARG A 230
 None
None
None
EDO  A 305 (-4.0A)
 1.36A 2htqA-4l3wA:
undetectable		 2htqA-4l3wA:
22.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 ASP A  69
TRP A  97
ILE A 141
ARG A 143
 None
 0.47A 2htqA-4qn3A:
62.6		 2htqA-4qn3A:
44.64
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.
5j98 VP2
VP3

(Slow bee
paralysis virus) 		PF00073
(Rhv) 		4 ASP C  46
TRP B  38
ILE C  48
ARG C  44
 None
 1.07A 2htqA-5j98C:
undetectable		 2htqA-5j98C:
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 4 ASP A 151
TRP A 178
ILE A 222
ARG A 224
 E3M  A 511 (-2.9A)
None
E3M  A 511 ( 4.3A)
E3M  A 511 (-3.8A)
 0.38A 2htqA-6br6A:
63.2		 2htqA-6br6A:
13.60