SIMILAR PATTERNS OF AMINO ACIDS FOR 4MWV_A_BCZA513

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
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.
1b43 PROTEIN (FEN-1)

(Pyrococcus
furiosus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		3 ARG A 125
GLU A  81
ARG A  97
 None
 0.86A 4mwvA-1b43A:
undetectable		 4mwvA-1b43A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4o DNA NUCLEOTIDE
EXCISION REPAIR
ENZYME UVRB

(Thermus
thermophilus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB) 		3 ARG A 284
GLU A 107
ARG A 362
 None
 0.67A 4mwvA-1c4oA:
undetectable		 4mwvA-1c4oA:
19.01
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		3 ARG A 294
GLU A 453
ARG A 449
 None
 0.81A 4mwvA-1dgjA:
undetectable		 4mwvA-1dgjA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fgg GLUCURONYLTRANSFERAS
E I

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		3 ARG A 310
GLU A  92
ARG A 156
 UDP  A 337 (-3.6A)
None
UDP  A 337 (-3.1A)
 0.95A 4mwvA-1fggA:
undetectable		 4mwvA-1fggA:
19.07
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.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		3 ARG A 213
GLU A   2
ARG A 139
 None
 0.82A 4mwvA-1nj8A:
undetectable		 4mwvA-1nj8A:
20.58
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) 		3 ARG N 118
GLU N 227
ARG N 371
 None
 0.54A 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.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		3 ARG A 170
GLU A 322
ARG A 171
 None
 0.74A 4mwvA-1q5mA:
undetectable		 4mwvA-1q5mA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		3 ARG A 207
GLU A  37
ARG A 199
 SO4  A 601 (-3.1A)
None
None
 0.85A 4mwvA-1qwrA:
undetectable		 4mwvA-1qwrA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1siq GLUTARYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ARG A  34
GLU A  58
ARG A  38
 None
 0.94A 4mwvA-1siqA:
undetectable		 4mwvA-1siqA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 ARG B 318
GLU B 152
ARG B 168
 SO4  B3101 (-2.5A)
None
SO4  B3101 ( 2.8A)
 0.78A 4mwvA-1t3qB:
undetectable		 4mwvA-1t3qB:
19.26
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) 		3 ARG A 124
GLU A 234
ARG A 378
 None
 0.17A 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) 		3 ARG A 116
GLU A 226
ARG A 374
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.2A)
 0.56A 4mwvA-1vcjA:
53.7		 4mwvA-1vcjA:
31.70
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.
1vkm CONSERVED
HYPOTHETICAL PROTEIN
TM1464

(Thermotoga
maritima) 		PF04227
(Indigoidine_A) 		3 ARG A 138
GLU A 206
ARG A 105
 None
 0.98A 4mwvA-1vkmA:
undetectable		 4mwvA-1vkmA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		3 ARG A 286
GLU A 143
ARG A 173
 None
 0.84A 4mwvA-1xa0A:
undetectable		 4mwvA-1xa0A:
19.65
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) 		3 ARG A 119
GLU A 229
ARG A 372
 ABW  A1000 (-3.2A)
ABW  A1000 ( 4.0A)
ABW  A1000 (-2.8A)
 0.33A 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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		3 ARG A 339
GLU A 207
ARG A  49
 None
 0.86A 4mwvA-1zkjA:
undetectable		 4mwvA-1zkjA:
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		3 ARG A1147
GLU A1143
ARG A1019
 None
 0.78A 4mwvA-2c3oA:
undetectable		 4mwvA-2c3oA:
13.69
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.
2dba SMOOTH MUSCLE CELL
ASSOCIATED
PROTEIN-1, ISOFORM 2

(Homo sapiens) 		PF07719
(TPR_2)
PF13432
(TPR_16) 		3 ARG A 105
GLU A  93
ARG A 124
 None
 0.66A 4mwvA-2dbaA:
undetectable		 4mwvA-2dbaA:
16.39
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		3 ARG A  67
GLU A  53
ARG A 206
 None
 0.96A 4mwvA-2h00A:
undetectable		 4mwvA-2h00A:
22.56
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) 		3 ARG A 118
GLU A 227
ARG A 371
 None
 0.55A 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.
2i3f GLYCOLIPID
TRANSFER-LIKE
PROTEIN

(Galdieria
sulphuraria) 		PF08718
(GLTP) 		3 ARG A 112
GLU A 204
ARG A 113
 None
 0.87A 4mwvA-2i3fA:
undetectable		 4mwvA-2i3fA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kc2 TALIN-1

(Mus musculus) 		PF09379
(FERM_N) 		3 ARG A  91
GLU A 135
ARG A 194
 None
 0.86A 4mwvA-2kc2A:
undetectable		 4mwvA-2kc2A:
16.39
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.
2o4u DIMERIC DIHYDRODIOL
DEHYDROGENASE

(Macaca
fascicularis) 		PF01408
(GFO_IDH_MocA) 		3 ARG X1322
GLU X1105
ARG X1323
 None
 0.91A 4mwvA-2o4uX:
undetectable		 4mwvA-2o4uX:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2

(Homo sapiens) 		PF00797
(Acetyltransf_2) 		3 ARG A  62
GLU A  49
ARG A  64
 UNX  A1004 (-4.2A)
None
UNX  A1004 (-4.0A)
 0.81A 4mwvA-2pfrA:
undetectable		 4mwvA-2pfrA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		3 ARG A  20
GLU A  68
ARG A  23
 None
 0.95A 4mwvA-2ppvA:
undetectable		 4mwvA-2ppvA:
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.
2y4t DNAJ HOMOLOG
SUBFAMILY C MEMBER 3

(Homo sapiens) 		PF00226
(DnaJ)
PF09976
(TPR_21)
PF13181
(TPR_8) 		3 ARG A 194
GLU A 182
ARG A 191
 None
 0.98A 4mwvA-2y4tA:
undetectable		 4mwvA-2y4tA:
18.07
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.
3b0h NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 ARG A 375
GLU A 453
ARG A 149
 None
None
SRM  A 601 (-2.9A)
 0.98A 4mwvA-3b0hA:
undetectable		 4mwvA-3b0hA:
19.48
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) 		3 ARG A 118
GLU A 227
ARG A 371
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.9A)
 0.14A 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.
3d8d AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 1

(Homo sapiens) 		PF00640
(PID) 		3 ARG A 470
GLU A 379
ARG A 451
 None
 0.98A 4mwvA-3d8dA:
undetectable		 4mwvA-3d8dA:
17.89
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.
3eus DNA-BINDING PROTEIN

(Ruegeria
pomeroyi) 		PF01381
(HTH_3) 		3 ARG A  48
GLU A  49
ARG A   6
 None
 0.95A 4mwvA-3eusA:
undetectable		 4mwvA-3eusA:
12.57
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 ARG B 105
GLU B 179
ARG B 471
 None
 0.71A 4mwvA-3h0gB:
undetectable		 4mwvA-3h0gB:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hfi PUTATIVE REGULATOR

(Escherichia
coli) 		PF07702
(UTRA) 		3 ARG A 113
GLU A 135
ARG A 119
 None
 1.00A 4mwvA-3hfiA:
undetectable		 4mwvA-3hfiA:
18.72
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica;
Moorella
thermoacetica) 		PF03063
(Prismane)
PF03598
(CdhC) 		3 ARG M 162
GLU M 191
ARG A   5
 None
 0.90A 4mwvA-3i04M:
undetectable		 4mwvA-3i04M:
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.
3n9v TYPE II
INOSITOL-1,4,5-TRISP
HOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		3 ARG A 411
GLU A 407
ARG A 451
 None
 0.92A 4mwvA-3n9vA:
undetectable		 4mwvA-3n9vA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3npe 9-CIS-EPOXYCAROTENOI
D DIOXYGENASE 1,
CHLOROPLASTIC

(Zea mays) 		PF03055
(RPE65) 		3 ARG A 208
GLU A 100
ARG A 233
 None
 0.85A 4mwvA-3npeA:
4.9		 4mwvA-3npeA:
18.55
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.
3ojy COMPLEMENT COMPONENT
C8 BETA CHAIN

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF) 		3 ARG B  82
GLU B  69
ARG B  83
 None
 0.78A 4mwvA-3ojyB:
undetectable		 4mwvA-3ojyB:
20.58
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.
3okz PUTATIVE
UNCHARACTERIZED
PROTEIN GBS0355

(Streptococcus
agalactiae) 		PF03816
(LytR_cpsA_psr) 		3 ARG A 222
GLU A 186
ARG A 104
 None
 1.00A 4mwvA-3okzA:
undetectable		 4mwvA-3okzA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oz6 MITOGEN-ACTIVATED
PROTEIN KINASE 1,
SERINE/THREONINE
PROTEIN KINASE

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		3 ARG A 373
GLU A  64
ARG A 374
 None
 0.90A 4mwvA-3oz6A:
undetectable		 4mwvA-3oz6A:
22.30
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		3 ARG A 100
GLU A 176
ARG A 101
 None
 0.78A 4mwvA-3pieA:
undetectable		 4mwvA-3pieA:
15.78
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.
3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA

(Escherichia
coli;
Homo sapiens;
Deltapapillomavirus
4) 		PF00518
(E6)
PF01547
(SBP_bac_1) 		3 ARG A 448
GLU A 441
ARG A 449
 None
 0.67A 4mwvA-3py7A:
undetectable		 4mwvA-3py7A:
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.
3q6m HEAT SHOCK PROTEIN
HSP 90-ALPHA

(Homo sapiens) 		PF00183
(HSP90) 		3 ARG A 338
GLU A 336
ARG A 367
 None
 0.88A 4mwvA-3q6mA:
undetectable		 4mwvA-3q6mA:
20.62
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.
3qgm P-NITROPHENYL
PHOSPHATASE (PHO2)

(Archaeoglobus
fulgidus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		3 ARG A  59
GLU A  69
ARG A  52
 None
 0.89A 4mwvA-3qgmA:
undetectable		 4mwvA-3qgmA:
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.
3qvm OLEI00960

(Oleispira
antarctica) 		PF00561
(Abhydrolase_1) 		3 ARG A  76
GLU A  88
ARG A  17
 None
 0.99A 4mwvA-3qvmA:
undetectable		 4mwvA-3qvmA:
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		3 ARG A 259
GLU A 258
ARG A 644
 None
 0.85A 4mwvA-3rc3A:
undetectable		 4mwvA-3rc3A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwl CYTOCHROME P450
ALKANE HYDROXYLASE 1
CYP153A7

(Sphingopyxis
macrogoltabida) 		PF00067
(p450) 		3 ARG A 335
GLU A 294
ARG A 405
 None
 0.97A 4mwvA-3rwlA:
undetectable		 4mwvA-3rwlA:
20.59
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		3 ARG A 498
GLU A 503
ARG A  88
 IOD  A 948 ( 4.1A)
None
IOD  A 948 ( 3.7A)
 0.85A 4mwvA-3s1sA:
undetectable		 4mwvA-3s1sA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s7w EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
nitratireducens) 		PF02335
(Cytochrom_C552) 		3 ARG A 219
GLU A 165
ARG A 136
 None
 0.87A 4mwvA-3s7wA:
undetectable		 4mwvA-3s7wA:
21.35
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.
3t6d PHOTOSYNTHETIC
REACTION CENTER
M-SUBUNIT

(Blastochloris
viridis) 		PF00124
(Photo_RC) 		3 ARG M 134
GLU M  22
ARG M  28
 None
 0.86A 4mwvA-3t6dM:
undetectable		 4mwvA-3t6dM:
18.09
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) 		3 ARG A 118
GLU A 227
ARG A 371
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.4A)
LNV  A 901 (-2.9A)
 0.14A 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) 		3 ARG A 118
GLU A 227
ARG A 371
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
LNV  A 801 (-2.9A)
 0.12A 4mwvA-3tiaA:
64.8		 4mwvA-3tiaA:
42.28
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.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		3 ARG A 412
GLU A 379
ARG A 302
 None
 0.97A 4mwvA-3ufbA:
undetectable		 4mwvA-3ufbA:
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.
3vly NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 ARG A 375
GLU A 452
ARG A 149
 None
None
SRM  A 601 (-2.9A)
 0.92A 4mwvA-3vlyA:
undetectable		 4mwvA-3vlyA:
20.50
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		3 ARG A 824
GLU A 814
ARG A 821
 None
 0.97A 4mwvA-3zqjA:
undetectable		 4mwvA-3zqjA:
18.43
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		3 ARG A 602
GLU A 491
ARG A 577
 None
 0.91A 4mwvA-4aefA:
undetectable		 4mwvA-4aefA:
18.54
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) 		3 ARG A 118
GLU A 228
ARG A 368
 G39  A1470 (-3.1A)
None
G39  A1470 (-3.0A)
 0.20A 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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		3 ARG A 115
GLU A 225
ARG A 373
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.0A)
 0.24A 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.
4ej0 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Burkholderia
thailandensis) 		PF01370
(Epimerase) 		3 ARG A 151
GLU A 131
ARG A 165
 None
 0.96A 4mwvA-4ej0A:
undetectable		 4mwvA-4ej0A:
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		3 ARG A 319
GLU A 252
ARG A 184
 AMP  A 401 (-4.0A)
AMP  A 401 (-3.1A)
None
 0.91A 4mwvA-4eysA:
undetectable		 4mwvA-4eysA:
21.38
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.
4gxt A CONSERVED
FUNCTIONALLY UNKNOWN
PROTEIN

(Anaerococcus
prevotii) 		PF12710
(HAD) 		3 ARG A 249
GLU A 264
ARG A 270
 None
 0.96A 4mwvA-4gxtA:
undetectable		 4mwvA-4gxtA:
21.35
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) 		3 ARG A 118
GLU A 227
ARG A 371
 SLB  A 512 (-2.7A)
None
SLB  A 512 (-2.9A)
 0.13A 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.
4hwc BAG FAMILY MOLECULAR
CHAPERONE REGULATOR
1

(Arabidopsis
thaliana) 		PF02179
(BAG) 		3 ARG A 170
GLU A 203
ARG A 174
 None
 0.88A 4mwvA-4hwcA:
undetectable		 4mwvA-4hwcA:
13.37
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) 		3 ARG A 118
GLU A 227
ARG A 371
 G39  A 509 (-3.0A)
None
G39  A 509 (-2.9A)
 0.20A 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.
4ijm CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Synechococcus
elongatus) 		PF06745
(ATPase) 		3 ARG A 184
GLU A 198
ARG A 208
 None
 0.86A 4mwvA-4ijmA:
undetectable		 4mwvA-4ijmA:
21.55
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.
4ivi CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		3 ARG A  97
GLU A 281
ARG A 286
 None
 0.95A 4mwvA-4iviA:
undetectable		 4mwvA-4iviA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		3 ARG A 103
GLU A  79
ARG A  55
 None
 0.88A 4mwvA-4lvuA:
undetectable		 4mwvA-4lvuA:
19.74
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) 		3 ARG A 118
GLU A 227
ARG A 371
 27S  A 501 (-3.0A)
27S  A 501 (-3.3A)
27S  A 501 (-3.1A)
 0.33A 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.
4pt2 ENCAPSULIN PROTEIN

(Myxococcus
xanthus) 		no annotation 3 ARG P  29
GLU P  22
ARG P  30
 None
 0.94A 4mwvA-4pt2P:
undetectable		 4mwvA-4pt2P:
20.24
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) 		3 ARG A  36
GLU A 146
ARG A 290
 None
 0.11A 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.
4r8z CYCLIC DI-GMP
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF13487
(HD_5) 		3 ARG A 304
GLU A 204
ARG A 345
 None
 0.87A 4mwvA-4r8zA:
undetectable		 4mwvA-4r8zA:
17.75
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.
4red 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		3 ARG A 265
GLU A 281
ARG A 134
 None
 0.93A 4mwvA-4redA:
undetectable		 4mwvA-4redA:
20.54
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.
4rmm PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chromobacterium
violaceum) 		PF03061
(4HBT) 		3 ARG A 131
GLU A 111
ARG A  43
 None
 1.00A 4mwvA-4rmmA:
undetectable		 4mwvA-4rmmA:
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		3 ARG A 260
GLU A 232
ARG A 271
 None
 0.90A 4mwvA-4s38A:
undetectable		 4mwvA-4s38A:
19.15
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.
4v35 ALANYL-TRNA-DEPENDEN
T L-ALANYL-
PHOPHATIDYLGLYCEROL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF09924
(DUF2156) 		3 ARG A 660
GLU A 760
ARG A 638
 None
None
GOL  A1875 (-4.4A)
 0.94A 4mwvA-4v35A:
undetectable		 4mwvA-4v35A:
19.26
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.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		3 ARG A   7
GLU A  14
ARG A 183
 None
 0.92A 4mwvA-4wa8A:
undetectable		 4mwvA-4wa8A:
22.20
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.
4wq3 CALPAIN SMALL
SUBUNIT 1

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13833
(EF-hand_8) 		3 ARG A  99
GLU A  97
ARG A 103
 None
 0.85A 4mwvA-4wq3A:
undetectable		 4mwvA-4wq3A:
17.56
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 ARG A 934
GLU A 931
ARG A 935
 None
 0.97A 4mwvA-5a0zA:
undetectable		 4mwvA-5a0zA:
17.69
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.
5c6g AGR133CP

(Eremothecium
gossypii) 		PF10345
(Cohesin_load) 		3 ARG A 190
GLU A 174
ARG A 187
 None
 0.87A 4mwvA-5c6gA:
undetectable		 4mwvA-5c6gA:
19.81
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.
5fmq INFLUENZA A PB2
SUBUNIT

(Influenza A
virus) 		PF00604
(Flu_PB2) 		3 ARG A 368
GLU A 520
ARG A 369
 None
 0.68A 4mwvA-5fmqA:
undetectable		 4mwvA-5fmqA:
23.05
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA
CRISPR SYSTEM
CASCADE SUBUNIT CASD

(Escherichia
coli;
Escherichia
coli) 		PF09481
(CRISPR_Cse1)
PF09704
(Cas_Cas5d) 		3 ARG A 361
GLU J  22
ARG A 425
 None
 0.95A 4mwvA-5h9fA:
undetectable		 4mwvA-5h9fA:
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.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		3 ARG A 104
GLU A  97
ARG A 219
 None
 0.90A 4mwvA-5ijwA:
undetectable		 4mwvA-5ijwA:
21.14
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		3 ARG A 649
GLU A 552
ARG A  93
 None
 0.99A 4mwvA-5ikpA:
undetectable		 4mwvA-5ikpA:
18.20
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.
5jir OOP FAMILY OMPA-OMPF
PORIN

(Treponema
pallidum) 		no annotation 3 ARG B 436
GLU B 383
ARG B 435
 None
 0.93A 4mwvA-5jirB:
undetectable		 4mwvA-5jirB:
19.78
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.
5jxu DYP-TYPE PEROXIDASE
FAMILY

(Thermomonospora
curvata) 		PF04261
(Dyp_perox) 		3 ARG A 102
GLU A 393
ARG A  97
 None
 0.96A 4mwvA-5jxuA:
undetectable		 4mwvA-5jxuA:
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.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		3 ARG A 223
GLU A 253
ARG A 383
 None
 0.76A 4mwvA-5jy9A:
undetectable		 4mwvA-5jy9A:
21.49
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.
5liq NICKING ENDONUCLEASE
N.BSPD6I

(Bacillus sp.
(in: Bacteria)) 		PF09491
(RE_AlwI) 		3 ARG A 103
GLU A  94
ARG A 104
 None
None
PO4  A 708 (-3.5A)
 0.94A 4mwvA-5liqA:
undetectable		 4mwvA-5liqA:
19.00
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.
5lw7 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Pyrococcus
abyssi) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		3 ARG B 250
GLU B 483
ARG B 493
 None
 0.99A 4mwvA-5lw7B:
undetectable		 4mwvA-5lw7B:
17.62
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.
5lw7 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Pyrococcus
abyssi) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		3 ARG B 493
GLU B 240
ARG B 250
 None
 0.83A 4mwvA-5lw7B:
undetectable		 4mwvA-5lw7B:
17.62
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 3 ARG A 356
GLU A 247
ARG A 331
 None
 0.97A 4mwvA-5mu5A:
undetectable		 4mwvA-5mu5A:
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.
5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1

(Homo sapiens) 		no annotation 3 ARG A 148
GLU A 326
ARG A 134
 TLA  A 402 (-3.2A)
TLA  A 402 (-3.6A)
None
 0.66A 4mwvA-5o9hA:
undetectable		 4mwvA-5o9hA:
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.
5t3e BACILLAMIDE
SYNTHETASE
HETEROCYCLIZATION
DOMAIN

(Thermoactinomyces
vulgaris) 		PF00668
(Condensation) 		3 ARG A 947
GLU A 925
ARG A 978
 None
 0.91A 4mwvA-5t3eA:
undetectable		 4mwvA-5t3eA:
20.61
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C

(Paenibacillus
sp. A11-2) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		3 ARG A 319
GLU A 332
ARG A 326
 SO4  A 503 (-2.9A)
None
SO4  A 503 (-3.0A)
 0.87A 4mwvA-5xdeA:
undetectable		 4mwvA-5xdeA:
21.85
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 3 ARG A  -2
GLU A 306
ARG A  50
 None
 0.89A 4mwvA-5xmdA:
undetectable		 4mwvA-5xmdA:
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 3 ARG A 404
GLU A 611
ARG A 473
 None
 1.00A 4mwvA-5xqoA:
undetectable		 4mwvA-5xqoA:
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 3 ARG A 246
GLU A 479
ARG A 489
 None
MG  A 604 (-4.4A)
None
 0.99A 4mwvA-5yv5A:
undetectable		 4mwvA-5yv5A:
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 3 ARG A 489
GLU A 236
ARG A 246
 None
MG  A 603 (-4.2A)
None
 0.85A 4mwvA-5yv5A:
undetectable		 4mwvA-5yv5A:
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 3 ARG A 118
GLU A 227
ARG A 371
 E3M  A 511 (-3.0A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-2.9A)
 0.20A 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.
6eih 14-3-3 PROTEIN
EPSILON

(Homo sapiens) 		no annotation 3 ARG A  61
GLU A 183
ARG A  57
 None
 0.75A 4mwvA-6eihA:
undetectable		 4mwvA-6eihA:
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 3 ARG A 121
GLU A 775
ARG A 792
 None
 0.74A 4mwvA-6eksA:
10.4		 4mwvA-6eksA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fel 14-3-3 PROTEIN GAMMA

(Homo sapiens) 		no annotation 3 ARG A  61
GLU A 185
ARG A  57
 None
 0.97A 4mwvA-6felA:
undetectable		 4mwvA-6felA:
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 3 ARG A 395
GLU A 433
ARG A 440
 None
 0.82A 4mwvA-6fylA:
undetectable		 4mwvA-6fylA:
undetectable