SIMILAR PATTERNS OF AMINO ACIDS FOR 2HTU_A_BCZA801_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.
1cii COLICIN IA

(Escherichia
coli) 		PF01024
(Colicin)
PF11504
(Colicin_Ia) 		5 GLU A  97
ARG A 101
ILE A 150
ARG A  95
GLU A  92
 None
 1.47A 2htuA-1ciiA:
undetectable		 2htuA-1ciiA:
19.77
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.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 LEU A 133
ARG A 131
ARG A 106
GLU A 525
TYR A 328
 None
 1.18A 2htuA-1d6mA:
undetectable		 2htuA-1d6mA:
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.
1jio CYTOCHROME P450
107A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 GLU A 244
LEU A 392
ARG A 387
ILE A 250
GLU A 360
 None
DEB  A 420 (-3.6A)
None
None
None
 1.50A 2htuA-1jioA:
undetectable		 2htuA-1jioA:
21.89
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 GLU N 119
LEU N 134
ARG N 152
ARG N 156
TRP N 178
SER N 179
ILE N 222
ARG N 224
GLU N 276
ARG N 292
TYR N 406
 None
 0.62A 2htuA-1nmbN:
62.1		 2htuA-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 GLU A 125
LEU A 140
ARG A 158
ARG A 162
TRP A 185
SER A 186
ILE A 229
ARG A 231
GLU A 283
ARG A 299
TYR A 412
 None
 0.34A 2htuA-1v0zA:
63.7		 2htuA-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) 		8 GLU A 117
ARG A 150
TRP A 177
ILE A 221
ARG A 223
GLU A 275
ARG A 292
TYR A 409
 IBA  A   1 (-3.9A)
IBA  A   1 (-3.9A)
None
IBA  A   1 ( 4.3A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.5A)
None
 1.10A 2htuA-1vcjA:
53.1		 2htuA-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) 		10 GLU A 117
LEU A 132
ARG A 150
ARG A 154
TRP A 177
SER A 178
ILE A 221
ARG A 223
ARG A 292
TYR A 409
 IBA  A   1 (-3.9A)
None
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
None
IBA  A   1 ( 4.2A)
IBA  A   1 ( 4.3A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.5A)
None
 0.51A 2htuA-1vcjA:
53.1		 2htuA-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.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		5 GLU A 143
LEU A  79
ARG A  83
ARG A  32
TYR A  28
 None
 1.50A 2htuA-1wleA:
undetectable		 2htuA-1wleA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 LEU A 452
SER A 449
ARG A 446
GLU A 443
TYR A 410
 None
 1.43A 2htuA-1woyA:
undetectable		 2htuA-1woyA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 GLU A 120
LEU A 135
ARG A 153
ARG A 157
TRP A 180
SER A 181
ILE A 224
ARG A 226
GLU A 278
ARG A 294
TYR A 406
 ABW  A1000 (-3.7A)
None
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.3A)
ABW  A1000 ( 4.7A)
None
ABW  A1000 (-4.1A)
ABW  A1000 (-3.4A)
ABW  A1000 (-4.9A)
 0.52A 2htuA-1xogA:
63.2		 2htuA-1xogA:
43.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 406
 None
 1.08A 2htuA-2htvA:
67.1		 2htuA-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) 		10 LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 406
 None
 0.60A 2htuA-2htvA:
67.1		 2htuA-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.
3aeh HEMOGLOBIN-BINDING
PROTEASE HBP
AUTOTRANSPORTER

(Escherichia
coli) 		PF03797
(Autotransporter) 		5 LEU A1123
ARG A1105
ILE A1199
GLU A1249
ARG A1282
 None
 1.40A 2htuA-3aehA:
undetectable		 2htuA-3aehA:
21.58
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) 		12 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 347
TYR A 406
 ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
None
ZMR  A 469 ( 4.6A)
None
ZMR  A 469 (-4.4A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.0A)
ZMR  A 469 ( 4.8A)
ZMR  A 469 (-4.7A)
 0.67A 2htuA-3ckzA:
68.4		 2htuA-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.
3cx6 GUANINE
NUCLEOTIDE-BINDING
PROTEIN ALPHA-13
SUBUNIT

(Mus musculus) 		PF00503
(G-alpha) 		5 ARG A 230
TRP A 233
ILE A 271
GLU A 251
ARG A 264
 None
 1.33A 2htuA-3cx6A:
undetectable		 2htuA-3cx6A:
21.93
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.
3o7j OHCU DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF09349
(OHCU_decarbox) 		5 GLU A 161
LEU A  45
ARG A  49
ARG A 159
GLU A  87
 None
None
None
None
2AL  A 451 (-3.7A)
 1.47A 2htuA-3o7jA:
undetectable		 2htuA-3o7jA:
18.85
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT

(Komagataella
pastoris;
Komagataella
pastoris) 		PF00365
(PFK)
no annotation 		5 SER B 936
ILE B 765
ARG B 938
ARG I 327
TYR I 349
 None
 1.30A 2htuA-3opyB:
undetectable		 2htuA-3opyB:
17.73
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 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 347
TYR A 406
 LNV  A 901 (-3.6A)
None
LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
None
LNV  A 901 ( 4.6A)
None
LNV  A 901 (-4.1A)
LNV  A 901 (-2.9A)
LNV  A 901 (-2.8A)
LNV  A 901 ( 4.7A)
LNV  A 901 (-4.8A)
 0.52A 2htuA-3ti8A:
73.3		 2htuA-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 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 406
 LNV  A 801 (-3.5A)
None
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
None
LNV  A 801 ( 4.7A)
None
LNV  A 801 (-4.2A)
LNV  A 801 (-2.9A)
LNV  A 801 (-3.0A)
LNV  A 801 (-4.4A)
 0.49A 2htuA-3tiaA:
63.7		 2htuA-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 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 179
SER A 180
ARG A 225
GLU A 277
ARG A 293
TYR A 402
 G39  A1470 (-3.5A)
None
G39  A1470 (-3.9A)
None
None
G39  A1470 ( 4.5A)
G39  A1470 (-4.4A)
G39  A1470 (-3.7A)
G39  A1470 (-2.9A)
G39  A1470 (-4.5A)
 0.44A 2htuA-4b7jA:
68.4		 2htuA-4b7jA:
53.00
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 GLU A 116
LEU A 131
ARG A 149
ARG A 153
TRP A 176
SER A 177
ILE A 220
ARG A 222
GLU A 274
ARG A 291
TYR A 408
 ZMR  A 700 (-3.5A)
None
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
None
ZMR  A 700 ( 4.6A)
None
ZMR  A 700 (-3.8A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-2.8A)
ZMR  A 700 (-4.6A)
 0.49A 2htuA-4cpnA:
53.3		 2htuA-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 GLU A 225
ARG A 149
ILE A 220
ARG A 291
TYR A 408
 ZMR  A 700 (-3.5A)
ZMR  A 700 (-4.0A)
None
ZMR  A 700 (-2.8A)
ZMR  A 700 (-4.6A)
 1.42A 2htuA-4cpnA:
53.3		 2htuA-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 GLU A  43
ARG A  45
ARG A  26
ILE A 138
TYR A  95
 None
None
PO4  A 606 (-2.7A)
None
None
 1.46A 2htuA-4fj6A:
4.7		 2htuA-4fj6A:
20.75
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 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ILE A 222
ARG A 224
GLU A 276
ARG A 292
 SLB  A 512 (-3.5A)
None
SLB  A 512 (-3.8A)
None
None
SLB  A 512 ( 4.4A)
None
SLB  A 512 (-4.2A)
SLB  A 512 (-2.8A)
SLB  A 512 (-3.1A)
 0.52A 2htuA-4h53A:
64.0		 2htuA-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 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 406
 G39  A 509 (-3.3A)
None
G39  A 509 (-3.9A)
None
None
G39  A 509 ( 4.5A)
G39  A 509 ( 4.1A)
G39  A 509 (-4.7A)
G39  A 509 ( 4.1A)
G39  A 509 (-2.8A)
G39  A 509 (-4.6A)
 0.36A 2htuA-4hzzA:
63.3		 2htuA-4hzzA:
45.98
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 GLU A 119
LEU A 134
ARG A 152
TRP A 178
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 406
 27S  A 501 (-3.4A)
None
27S  A 501 (-4.2A)
None
27S  A 501 ( 4.6A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.95A 2htuA-4mjuA:
73.7		 2htuA-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 LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 276
ARG A 292
TYR A 347
TYR A 406
 None
27S  A 501 (-4.2A)
None
None
27S  A 501 ( 4.6A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.1A)
None
27S  A 501 (-4.6A)
 0.61A 2htuA-4mjuA:
73.7		 2htuA-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 LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 406
 None
27S  A 501 (-4.2A)
None
None
27S  A 501 ( 4.6A)
27S  A 501 ( 4.6A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.47A 2htuA-4mjuA:
73.7		 2htuA-4mjuA:
98.71
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 GLU A  37
LEU A  52
ARG A  70
ARG A  74
TRP A  97
SER A  98
ILE A 141
ARG A 143
GLU A 195
ARG A 211
TYR A 324
 None
 0.37A 2htuA-4qn3A:
63.3		 2htuA-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.
4rg8 EXONUCLEASE I

(Methylocaldum
szegediense) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		5 ARG A 114
ARG A 109
GLU A 123
ARG A 122
TYR A  10
 None
 1.38A 2htuA-4rg8A:
undetectable		 2htuA-4rg8A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l6s GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		5 GLU A 311
LEU A 313
ARG A 353
SER A 312
TYR A 309
 None
 1.35A 2htuA-5l6sA:
undetectable		 2htuA-5l6sA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4

(Homo sapiens) 		no annotation 5 LEU A 152
SER A 149
ILE A 102
ARG A 179
TYR A 181
 None
None
None
None
EDO  A 606 (-4.6A)
 1.45A 2htuA-5nqaA:
undetectable		 2htuA-5nqaA:
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 11 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 406
 E3M  A 511 (-3.6A)
None
E3M  A 511 (-3.8A)
None
None
E3M  A 511 ( 4.0A)
E3M  A 511 ( 4.3A)
E3M  A 511 (-3.8A)
E3M  A 511 (-2.3A)
E3M  A 511 (-2.9A)
E3M  A 511 (-4.5A)
 0.49A 2htuA-6br6A:
64.0		 2htuA-6br6A:
undetectable