SIMILAR PATTERNS OF AMINO ACIDS FOR 4MWV_A_BCZA513_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
 1.36A 4mwvA-1ciiA:
undetectable		 4mwvA-1ciiA:
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.
1jmz AMINE DEHYDROGENASE
AMINE DEHYDROGENASE

(Pseudomonas
putida;
Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII)
no annotation 		5 GLU A 134
ARG B 148
ILE A 147
ARG A 142
ARG A 102
 None
None
None
None
HEC  A1001 ( 3.9A)
 1.46A 4mwvA-1jmzA:
undetectable		 4mwvA-1jmzA:
19.60
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 152
ILE N 222
ARG N 224
GLU N 227
 None
 1.43A 4mwvA-1nmbN:
72.7		 4mwvA-1nmbN:
78.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 GLU N 119
LEU N 134
ASP N 151
ARG N 152
ARG N 156
TRP N 178
ILE N 222
ARG N 224
GLU N 276
GLU N 277
ARG N 292
TYR N 406
 None
 0.68A 4mwvA-1nmbN:
72.7		 4mwvA-1nmbN:
78.30
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
60 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII)
no annotation 		5 GLU A 134
ARG B 135
ILE A 147
ARG A 142
ARG A 102
 None
None
None
None
HEM  A 992 (-3.7A)
 1.46A 4mwvA-1pbyA:
undetectable		 4mwvA-1pbyA:
19.56
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.
1u6m ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		5 GLU A  67
ARG A 123
ILE A 129
GLU A  63
ARG A   5
 None
 1.33A 4mwvA-1u6mA:
undetectable		 4mwvA-1u6mA:
17.90
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 158
ILE A 229
ARG A 231
GLU A 234
 None
 1.26A 4mwvA-1v0zA:
72.8		 4mwvA-1v0zA:
68.89
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 GLU A 125
LEU A 140
ASP A 157
ARG A 158
ARG A 162
TRP A 185
ILE A 229
ARG A 231
GLU A 283
GLU A 284
ARG A 299
TYR A 412
 None
 0.23A 4mwvA-1v0zA:
72.8		 4mwvA-1v0zA:
68.89
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 ASP A 149
ARG A 150
ILE A 221
ARG A 223
GLU A 275
GLU A 226
 IBA  A   1 (-3.6A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 4.3A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.9A)
 1.34A 4mwvA-1vcjA:
53.7		 4mwvA-1vcjA:
31.70
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 ASP A 149
ARG A 150
TRP A 177
ILE A 221
ARG A 223
GLU A 275
ARG A 292
TYR A 409
 IBA  A   1 (-3.6A)
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
 1.17A 4mwvA-1vcjA:
53.7		 4mwvA-1vcjA:
31.70
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) 		11 GLU A 117
LEU A 132
ASP A 149
ARG A 150
ARG A 154
TRP A 177
ILE A 221
ARG A 223
GLU A 276
ARG A 292
TYR A 409
 IBA  A   1 (-3.9A)
None
IBA  A   1 (-3.6A)
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
None
IBA  A   1 ( 4.3A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.5A)
None
 0.56A 4mwvA-1vcjA:
53.7		 4mwvA-1vcjA:
31.70
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 153
ILE A 224
ARG A 226
GLU A 229
 ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 ( 4.7A)
None
ABW  A1000 ( 4.0A)
 1.28A 4mwvA-1xogA:
74.6		 4mwvA-1xogA:
94.59
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 GLU A 120
LEU A 135
ASP A 152
ARG A 153
ARG A 157
TRP A 180
ILE A 224
ARG A 226
GLU A 278
GLU A 279
ARG A 294
TYR A 406
 ABW  A1000 (-3.7A)
None
ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.7A)
None
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-4.9A)
 0.47A 4mwvA-1xogA:
74.6		 4mwvA-1xogA:
94.59
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.
1zcj PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ARG A 552
ILE A 688
GLU A 497
GLU A 496
TYR A 602
 None
 1.28A 4mwvA-1zcjA:
undetectable		 4mwvA-1zcjA:
20.33
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.
2g3b PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF13977
(TetR_C_6) 		5 GLU A 160
ARG A 105
ILE A  58
GLU A  87
ARG A  66
 None
None
None
GOL  A1004 (-2.7A)
GOL  A1004 (-3.1A)
 1.50A 4mwvA-2g3bA:
undetectable		 4mwvA-2g3bA:
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.
2gf5 FADD PROTEIN

(Homo sapiens) 		PF00531
(Death)
PF01335
(DED) 		5 GLU A  19
LEU A  15
ARG A  71
ARG A  72
GLU A  22
 None
 1.25A 4mwvA-2gf5A:
undetectable		 4mwvA-2gf5A:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ASP A 151
ARG A 152
ILE A 222
ARG A 224
GLU A 227
 None
 1.30A 4mwvA-2htvA:
62.7		 4mwvA-2htvA:
43.00
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) 		11 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 None
 1.11A 4mwvA-2htvA:
62.7		 4mwvA-2htvA:
43.00
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
ASP A 151
ARG A 152
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 None
 0.77A 4mwvA-2htvA:
62.7		 4mwvA-2htvA:
43.00
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.
2np5 TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF13977
(TetR_C_6) 		5 GLU A 147
ARG A 131
ILE A 187
ARG A 149
GLU A 145
 None
 1.46A 4mwvA-2np5A:
undetectable		 4mwvA-2np5A:
17.29
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 LEU A 209
ASP A 204
ILE A 236
GLU A 188
ARG A 221
 None
 1.47A 4mwvA-2nwhA:
undetectable		 4mwvA-2nwhA:
18.32
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ASP A 372
ILE A 442
GLU A 647
ARG A 663
TYR A 752
 None
 0.82A 4mwvA-2w20A:
21.5		 4mwvA-2w20A:
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.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00590
(TP_methylase) 		5 GLU A 114
ARG A 111
ARG A 118
GLU A 121
GLU A 117
 None
UP2  A1268 (-3.8A)
None
None
None
 1.39A 4mwvA-2ybqA:
undetectable		 4mwvA-2ybqA:
19.75
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 LEU A 448
TRP A 383
ILE A 412
ARG A 524
TYR A 495
 None
 1.49A 4mwvA-2yfnA:
undetectable		 4mwvA-2yfnA:
20.49
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.
3aii GLUTAMYL-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 LEU A 440
ASP A 462
ARG A 533
GLU A 532
ARG A 403
 None
 1.29A 4mwvA-3aiiA:
undetectable		 4mwvA-3aiiA:
20.28
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.
3cjd TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Jannaschia sp.
CCS1) 		PF00440
(TetR_N)
PF13305
(WHG) 		5 GLU A  25
LEU A 107
ARG A  65
ARG A  69
ILE A  17
 None
CL  A 202 (-4.1A)
None
None
None
 1.25A 4mwvA-3cjdA:
undetectable		 4mwvA-3cjdA:
18.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ASP A 151
ARG A 152
ILE A 222
ARG A 224
GLU A 227
 ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.9A)
None
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
 1.42A 4mwvA-3ckzA:
64.2		 4mwvA-3ckzA:
48.21
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) 		5 ASP A 151
ARG A 152
TRP A 178
GLU A 276
ARG A 292
 ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.9A)
None
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.0A)
 1.47A 4mwvA-3ckzA:
64.2		 4mwvA-3ckzA:
48.21
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) 		12 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
None
None
ZMR  A 469 (-4.4A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-4.7A)
 0.69A 4mwvA-3ckzA:
64.2		 4mwvA-3ckzA:
48.21
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.
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
 1.30A 4mwvA-3cx6A:
undetectable		 4mwvA-3cx6A:
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.
3ffu PROBABLE
PYROPHOSPHOHYDROLASE

(Bdellovibrio
bacteriovorus) 		PF00293
(NUDIX) 		5 GLU A  74
LEU A  71
ILE A  99
GLU A  51
ARG A  40
 MG  A 156 (-2.3A)
None
GTP  A4033 ( 4.9A)
GTP  A4033 (-3.5A)
GTP  A4033 (-3.1A)
 1.30A 4mwvA-3ffuA:
undetectable		 4mwvA-3ffuA:
17.01
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 LEU A 407
ASP A 364
ARG A 367
ARG A 363
TYR A 528
 None
 1.48A 4mwvA-3k0sA:
undetectable		 4mwvA-3k0sA:
17.00
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		5 LEU A  55
ASP A 103
ILE A 105
GLU A 148
ARG A  29
 None
 1.38A 4mwvA-3koyA:
undetectable		 4mwvA-3koyA:
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.
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
 1.39A 4mwvA-3kt4A:
undetectable		 4mwvA-3kt4A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0r RESPONSE REGULATOR

(Caulobacter
vibrioides) 		PF00072
(Response_reg) 		5 GLU A 106
LEU A 105
ARG A  19
ARG A  16
TYR A  57
 None
 1.45A 4mwvA-3n0rA:
undetectable		 4mwvA-3n0rA:
20.55
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.
3s1v PROBABLE
TRANSALDOLASE

(Thermoplasma
acidophilum) 		PF00923
(TAL_FSA) 		5 GLU A  67
ASP A  92
ARG A  95
ILE A  87
GLU A  72
 None
 1.30A 4mwvA-3s1vA:
undetectable		 4mwvA-3s1vA:
21.91
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 152
ILE A 222
ARG A 224
GLU A 227
 LNV  A 901 (-3.4A)
LNV  A 901 (-4.0A)
None
LNV  A 901 (-4.1A)
LNV  A 901 (-3.4A)
 1.34A 4mwvA-3ti8A:
64.9		 4mwvA-3ti8A:
43.61
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
ASP A 151
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 LNV  A 901 (-3.6A)
None
LNV  A 901 (-3.4A)
LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
None
None
LNV  A 901 (-4.1A)
LNV  A 901 (-2.9A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-2.8A)
LNV  A 901 (-4.8A)
 0.42A 4mwvA-3ti8A:
64.9		 4mwvA-3ti8A:
43.61
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 152
ILE A 222
ARG A 224
GLU A 227
 LNV  A 801 (-3.4A)
LNV  A 801 (-3.9A)
None
LNV  A 801 (-4.2A)
LNV  A 801 (-3.5A)
 1.30A 4mwvA-3tiaA:
64.8		 4mwvA-3tiaA:
42.28
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 GLU A 119
ARG A 156
ILE A 194
GLU A 277
TYR A 406
 LNV  A 801 (-3.5A)
LNV  A 801 (-4.0A)
None
LNV  A 801 (-3.8A)
LNV  A 801 (-4.4A)
 1.45A 4mwvA-3tiaA:
64.8		 4mwvA-3tiaA:
42.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 LNV  A 801 (-3.5A)
None
LNV  A 801 (-3.4A)
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
None
None
LNV  A 801 (-4.2A)
LNV  A 801 (-2.9A)
LNV  A 801 (-3.8A)
LNV  A 801 (-3.0A)
LNV  A 801 (-4.4A)
 0.43A 4mwvA-3tiaA:
64.8		 4mwvA-3tiaA:
42.28
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 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
TRP A 179
ARG A 225
GLU A 277
GLU A 278
ARG A 293
TYR A 402
 G39  A1470 (-3.5A)
None
G39  A1470 (-3.7A)
G39  A1470 (-3.9A)
None
None
G39  A1470 (-4.4A)
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-4.5A)
 0.42A 4mwvA-4b7jA:
64.2		 4mwvA-4b7jA:
40.76
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 GLU V 978
LEU V 960
ARG V 860
GLU V1034
ARG V 977
 None
 1.39A 4mwvA-4bxsV:
undetectable		 4mwvA-4bxsV:
14.68
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 ASP A 148
ARG A 149
ILE A 220
ARG A 222
GLU A 225
 ZMR  A 700 (-3.3A)
ZMR  A 700 (-4.0A)
None
ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.5A)
 1.26A 4mwvA-4cpnA:
54.2		 4mwvA-4cpnA:
28.93
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		12 GLU A 116
LEU A 131
ASP A 148
ARG A 149
ARG A 153
TRP A 176
ILE A 220
ARG A 222
GLU A 274
GLU A 275
ARG A 291
TYR A 408
 ZMR  A 700 (-3.5A)
None
ZMR  A 700 (-3.3A)
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
None
None
ZMR  A 700 (-3.8A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.8A)
ZMR  A 700 (-4.6A)
 0.46A 4mwvA-4cpnA:
54.2		 4mwvA-4cpnA:
28.93
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.
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)
 1.47A 4mwvA-4cpnA:
54.2		 4mwvA-4cpnA:
28.93
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.
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
 1.49A 4mwvA-4fj6A:
8.6		 4mwvA-4fj6A:
22.70
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 152
ILE A 222
ARG A 224
GLU A 227
 SLB  A 512 (-3.5A)
SLB  A 512 (-3.8A)
None
SLB  A 512 (-4.2A)
None
 1.35A 4mwvA-4h53A:
64.8		 4mwvA-4h53A:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
 SLB  A 512 (-3.5A)
None
SLB  A 512 (-3.5A)
SLB  A 512 (-3.8A)
None
None
None
SLB  A 512 (-4.2A)
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
SLB  A 512 (-3.1A)
 0.45A 4mwvA-4h53A:
64.8		 4mwvA-4h53A:
49.49
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 119
LEU A 134
ASP A 151
ARG A 156
ARG A 371
 SLB  A 512 (-3.5A)
None
SLB  A 512 (-3.5A)
None
SLB  A 512 (-2.9A)
 1.48A 4mwvA-4h53A:
64.8		 4mwvA-4h53A:
49.49
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		5 GLU A 419
LEU A 416
ARG A 354
ILE A 423
TYR A 467
 None
 1.30A 4mwvA-4hu8A:
undetectable		 4mwvA-4hu8A:
21.19
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 152
ILE A 222
ARG A 224
GLU A 227
 G39  A 509 (-3.6A)
G39  A 509 (-3.9A)
G39  A 509 ( 4.1A)
G39  A 509 (-4.7A)
None
 1.27A 4mwvA-4hzzA:
63.0		 4mwvA-4hzzA:
48.61
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 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 G39  A 509 (-3.3A)
None
G39  A 509 (-3.6A)
G39  A 509 (-3.9A)
None
None
G39  A 509 ( 4.1A)
G39  A 509 (-4.7A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-2.8A)
G39  A 509 (-4.6A)
 0.21A 4mwvA-4hzzA:
63.0		 4mwvA-4hzzA:
48.61
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.
4imd N-ACETYLNEURAMINATE
LYASE

(Pasteurella
multocida) 		PF00701
(DHDPS) 		5 GLU A  58
LEU A  54
ARG A 269
GLU A  23
GLU A  61
 None
 1.25A 4mwvA-4imdA:
undetectable		 4mwvA-4imdA:
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.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLU A 208
ARG A 375
ILE A 195
ARG A 190
GLU A 204
 None
 1.44A 4mwvA-4j9vA:
undetectable		 4mwvA-4j9vA:
20.13
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 GLU A 119
LEU A 134
ARG A 152
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
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 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.98A 4mwvA-4mjuA:
62.5		 4mwvA-4mjuA:
44.25
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
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
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 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.42A 4mwvA-4mjuA:
62.5		 4mwvA-4mjuA:
44.25
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 LEU A 134
ASP A 151
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
 None
27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
None
None
27S  A 501 ( 4.6A)
27S  A 501 (-4.3A)
 0.72A 4mwvA-4mjuA:
62.5		 4mwvA-4mjuA:
44.25
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.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU B 189
ARG B 262
ILE B 141
ARG B 143
GLU B 178
 None
 1.36A 4mwvA-4o27B:
undetectable		 4mwvA-4o27B:
20.44
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  70
ILE A 141
ARG A 143
GLU A 146
 None
 1.29A 4mwvA-4qn3A:
71.2		 4mwvA-4qn3A:
62.05
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 GLU A  37
LEU A  52
ASP A  69
ARG A  70
ARG A  74
TRP A  97
ILE A 141
ARG A 143
GLU A 195
GLU A 196
ARG A 211
TYR A 324
 None
 0.27A 4mwvA-4qn3A:
71.2		 4mwvA-4qn3A:
62.05
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.
5fwk HSP90 CO-CHAPERONE
CDC37

(Homo sapiens) 		PF03234
(CDC37_N) 		5 GLU E  99
LEU E 102
ARG E 106
GLU E  95
ARG E  92
 None
 1.45A 4mwvA-5fwkE:
undetectable		 4mwvA-5fwkE:
18.54
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.
5guj DNA PRIMASE

(Bacillus
subtilis) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2) 		5 LEU A 174
ASP A 201
ILE A 191
ARG A 202
TYR A 128
 None
 1.29A 4mwvA-5gujA:
undetectable		 4mwvA-5gujA:
21.33
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 LEU A 128
ASP A 198
ARG A 156
GLU A 340
GLU A 341
 None
 1.44A 4mwvA-5hlbA:
undetectable		 4mwvA-5hlbA:
18.84
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.
5j6g H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, Q10 ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 GLU A  19
ASP A  39
ARG A  21
ILE A  23
GLU A  71
 None
 1.39A 4mwvA-5j6gA:
undetectable		 4mwvA-5j6gA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 582
ASP A 532
ARG A 538
GLU A 600
ARG A 597
 None
GAL  A1000 (-3.1A)
GAL  A1000 (-4.4A)
None
GAL  A1000 (-3.1A)
 1.45A 4mwvA-5k6oA:
undetectable		 4mwvA-5k6oA:
18.34
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A 434
ARG A 509
ILE A 386
ARG A 388
GLU A 423
 None
 1.32A 4mwvA-5kbrA:
undetectable		 4mwvA-5kbrA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5th3 R-SWAI PROTEIN

(Staphylococcus
warneri) 		no annotation 5 GLU A   7
LEU A 153
ILE A 118
GLU A  88
ARG A  86
 None
 1.43A 4mwvA-5th3A:
undetectable		 4mwvA-5th3A:
19.49
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 5 GLU A 465
LEU A 449
ASP A 462
ARG A 453
ILE A 404
 None
 1.26A 4mwvA-5vhaA:
undetectable		 4mwvA-5vhaA:
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 LEU A 620
ASP A 570
ARG A 576
GLU A 638
ARG A 635
 None
 1.37A 4mwvA-5wugA:
undetectable		 4mwvA-5wugA:
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 5 ASP A 151
ARG A 152
ILE A 222
ARG A 224
GLU A 227
 E3M  A 511 (-2.9A)
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.3A)
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.8A)
 1.29A 4mwvA-6br6A:
64.6		 4mwvA-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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 12 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 E3M  A 511 (-3.6A)
None
E3M  A 511 (-2.9A)
E3M  A 511 (-3.8A)
None
None
E3M  A 511 ( 4.3A)
E3M  A 511 (-3.8A)
E3M  A 511 (-2.3A)
E3M  A 511 ( 3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 (-4.5A)
 0.46A 4mwvA-6br6A:
64.6		 4mwvA-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 5 ASP A 276
TRP A 337
GLU A 645
ARG A 661
TYR A 766
 G39  A 908 (-3.3A)
None
G39  A 908 (-4.0A)
G39  A 908 (-2.8A)
G39  A 908 (-4.6A)
 0.58A 4mwvA-6eksA:
8.1		 4mwvA-6eksA:
19.11