SIMILAR PATTERNS OF AMINO ACIDS FOR 4MWX_A_ZMRA513

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.
1eqn DNA PRIMASE

(Escherichia
coli) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2) 		5 ARG A 260
GLU A 363
ARG A 336
ARG A 361
GLU A 353
 None
 1.31A 4mwxA-1eqnA:
undetectable		 4mwxA-1eqnA:
19.25
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ARG A 320
GLU A 332
GLU A 323
LYS A 329
TYR A  26
 None
 1.24A 4mwxA-1geuA:
undetectable		 4mwxA-1geuA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 GLU A 253
ARG A 213
GLU A 252
ALA A 278
GLU A 255
 None
 1.38A 4mwxA-1ixkA:
undetectable		 4mwxA-1ixkA:
21.59
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  35
ASP A  59
GLU A 230
ARG A 314
TYR A 342
 DAN  A 700 (-3.0A)
DAN  A 700 (-2.7A)
DAN  A 700 (-3.3A)
DAN  A 700 (-3.0A)
DAN  A 700 (-3.5A)
 1.01A 4mwxA-1ms8A:
19.9		 4mwxA-1ms8A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ARG A  36
ASP A  60
GLU A 231
ARG A 315
TYR A 343
 None
 0.66A 4mwxA-1mz5A:
20.2		 4mwxA-1mz5A:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG N 118
GLU N 119
ASP N 151
ARG N 156
ARG N 224
GLU N 227
ALA N 246
GLU N 276
GLU N 277
ARG N 371
TYR N 406
 None
 0.71A 4mwxA-1nmbN:
72.9		 4mwxA-1nmbN:
78.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 124
GLU A 125
ASP A 157
ARG A 162
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 378
TYR A 412
 None
 0.47A 4mwxA-1v0zA:
72.9		 4mwxA-1v0zA:
68.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		10 ARG A 116
GLU A 117
ASP A 149
ARG A 154
ARG A 223
GLU A 226
ALA A 245
GLU A 276
ARG A 374
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.6A)
IBA  A   1 (-4.1A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.2A)
None
 0.62A 4mwxA-1vcjA:
53.7		 4mwxA-1vcjA:
31.45
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) 		7 ARG A 116
GLU A 117
ASP A 149
ARG A 223
GLU A 275
ARG A 374
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.6A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.2A)
None
 1.23A 4mwxA-1vcjA:
53.7		 4mwxA-1vcjA:
31.45
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) 		10 ARG A 119
GLU A 120
ASP A 152
ARG A 157
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 372
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-3.7A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.5A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.44A 4mwxA-1xogA:
74.5		 4mwxA-1xogA:
94.33
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) 		10 GLU A 120
ASP A 152
ARG A 157
ARG A 226
GLU A 229
ALA A 248
GLU A 278
GLU A 279
ARG A 372
TYR A 406
 ABW  A1000 (-3.7A)
ABW  A1000 (-3.7A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.63A 4mwxA-1xogA:
74.5		 4mwxA-1xogA:
94.33
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 ARG A 266
ASP A 291
GLU A 539
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 (-2.8A)
SIA  A1692 ( 3.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.53A 4mwxA-2bf6A:
21.3		 4mwxA-2bf6A:
22.41
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) 		8 ARG A 118
ARG A 156
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 None
 0.54A 4mwxA-2htvA:
62.7		 4mwxA-2htvA:
42.75
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) 		8 ARG A 118
ASP A 151
ARG A 156
ARG A 224
GLU A 227
GLU A 277
ARG A 371
TYR A 406
 None
 0.72A 4mwxA-2htvA:
62.7		 4mwxA-2htvA:
42.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 GLU A 119
ARG A 156
ARG A 224
GLU A 276
GLU A 277
TYR A 406
 None
 1.23A 4mwxA-2htvA:
62.7		 4mwxA-2htvA:
42.75
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor) 		PF02668
(TauD) 		5 ARG A 257
ARG A 251
GLU A 250
ALA A 205
GLU A 207
 None
 1.42A 4mwxA-2og7A:
undetectable		 4mwxA-2og7A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qni UNCHARACTERIZED
PROTEIN ATU0299

(Agrobacterium
fabrum) 		PF00300
(His_Phos_1) 		5 ARG A  52
GLU A  51
ALA A 213
GLU A 215
GLU A  55
 None
 1.31A 4mwxA-2qniA:
undetectable		 4mwxA-2qniA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ARG A 347
ASP A 372
GLU A 647
ARG A 721
TYR A 752
 None
 0.60A 4mwxA-2w20A:
6.1		 4mwxA-2w20A:
22.68
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ARG A  59
ASP A  84
GLU A 249
ARG A 322
TYR A 358
 KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 0.48A 4mwxA-2xziA:
7.3		 4mwxA-2xziA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.23A 4mwxA-2ybqA:
undetectable		 4mwxA-2ybqA:
19.50
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.
2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA

(Rhodococcus
erythropolis) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		5 GLU A 165
ASP B  53
ARG B  56
ALA B 116
GLU B 177
 None
None
CSO  A 114 ( 3.8A)
None
None
 1.18A 4mwxA-2zpbA:
undetectable		 4mwxA-2zpbA:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.4A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-2.9A)
ZMR  A 469 (-4.7A)
 0.58A 4mwxA-3ckzA:
64.2		 4mwxA-3ckzA:
47.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		5 ARG A  37
ASP A  62
GLU A 231
ARG A 309
TYR A 342
 PO4  A 499 (-2.7A)
GOL  A 403 ( 3.4A)
GOL  A 402 (-3.3A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 0.77A 4mwxA-3silA:
19.7		 4mwxA-3silA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.6A)
LNV  A 901 (-3.4A)
LNV  A 901 (-4.0A)
LNV  A 901 (-4.1A)
LNV  A 901 (-3.4A)
LNV  A 901 (-3.5A)
LNV  A 901 (-2.9A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-2.9A)
LNV  A 901 (-4.8A)
 0.31A 4mwxA-3ti8A:
64.9		 4mwxA-3ti8A:
43.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 ARG A 224
ALA A 246
GLU A 276
GLU A 277
ARG A 118
TYR A 406
 LNV  A 901 (-4.1A)
LNV  A 901 (-3.5A)
LNV  A 901 (-2.9A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-3.0A)
LNV  A 901 (-4.8A)
 1.48A 4mwxA-3ti8A:
64.9		 4mwxA-3ti8A:
43.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-4.0A)
LNV  A 801 (-4.2A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-2.9A)
LNV  A 801 (-3.8A)
LNV  A 801 (-2.9A)
LNV  A 801 (-4.4A)
 0.23A 4mwxA-3tiaA:
64.7		 4mwxA-3tiaA:
42.07
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.
4ar9 COLLAGENASE COLT

(Clostridium
tetani) 		PF01752
(Peptidase_M9) 		5 GLU A 503
ARG A 516
GLU A 498
GLU A 499
TYR A 548
 None
None
None
ZN  A1731 (-2.6A)
None
 1.45A 4mwxA-4ar9A:
undetectable		 4mwxA-4ar9A:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 225
GLU A 228
GLU A 277
GLU A 278
ARG A 368
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
G39  A1470 (-3.7A)
None
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.62A 4mwxA-4b7jA:
64.2		 4mwxA-4b7jA:
40.55
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		11 ARG A 115
GLU A 116
ASP A 148
ARG A 153
ARG A 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
ARG A 373
TYR A 408
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.3A)
ZMR  A 700 (-4.2A)
ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-3.0A)
ZMR  A 700 (-4.6A)
 0.58A 4mwxA-4cpnA:
54.1		 4mwxA-4cpnA:
28.72
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		6 ARG A 222
ALA A 244
GLU A 274
GLU A 275
ARG A 115
TYR A 408
 ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.9A)
ZMR  A 700 (-4.6A)
 1.44A 4mwxA-4cpnA:
54.1		 4mwxA-4cpnA:
28.72
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 ARG A 200
ASP A 225
GLU A 395
ARG A 475
TYR A 506
 PO4  A 607 ( 2.6A)
PO4  A 607 ( 3.8A)
PO4  A 607 ( 4.8A)
PO4  A 607 (-2.8A)
PO4  A 607 (-4.6A)
 0.61A 4mwxA-4fj6A:
2.6		 4mwxA-4fj6A:
21.18
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.
4g9q 4-CARBOXYMUCONOLACTO
NE DECARBOXYLASE

(Sinorhizobium
meliloti) 		PF02627
(CMD) 		5 ARG A  46
GLU A 217
ARG A  54
GLU A 213
ALA A 238
 None
 1.29A 4mwxA-4g9qA:
undetectable		 4mwxA-4g9qA:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
SLB  A 512 (-3.5A)
None
SLB  A 512 (-4.2A)
None
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
SLB  A 512 (-2.9A)
 0.25A 4mwxA-4h53A:
64.7		 4mwxA-4h53A:
49.23
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 ARG A 224
ALA A 246
GLU A 276
GLU A 277
ARG A 118
 SLB  A 512 (-4.2A)
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
SLB  A 512 (-2.7A)
 1.25A 4mwxA-4h53A:
64.7		 4mwxA-4h53A:
49.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
G39  A 509 (-3.6A)
None
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
 0.61A 4mwxA-4hzzA:
63.0		 4mwxA-4hzzA:
48.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 ARG A 118
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
None
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.61A 4mwxA-4mjuA:
62.5		 4mwxA-4mjuA:
43.99
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) 		8 ARG A 118
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ALA A 246
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
27S  A 501 (-3.2A)
None
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 0.69A 4mwxA-4mjuA:
62.5		 4mwxA-4mjuA:
43.99
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) 		6 GLU A 119
ARG A 224
ALA A 246
GLU A 276
GLU A 277
TYR A 406
 27S  A 501 (-3.4A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-4.6A)
 1.02A 4mwxA-4mjuA:
62.5		 4mwxA-4mjuA:
43.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ARG A 220
ASP A 245
GLU A 415
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
EDO  A 604 ( 4.3A)
None
None
None
 0.52A 4mwxA-4q6kA:
21.1		 4mwxA-4q6kA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 ARG A  36
GLU A  37
ASP A  69
ARG A  74
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 290
TYR A 324
 None
 0.50A 4mwxA-4qn3A:
71.2		 4mwxA-4qn3A:
61.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 293
ASP A 318
GLU A 595
ARG A 673
TYR A 713
 CNP  A 760 (-3.0A)
CNP  A 760 (-2.6A)
CNP  A 760 ( 4.5A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.61A 4mwxA-4sliA:
7.8		 4mwxA-4sliA:
22.14
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		5 ARG A 230
GLU A 373
ALA A 473
GLU A 437
ARG A 371
 None
 1.12A 4mwxA-4txkA:
undetectable		 4mwxA-4txkA:
18.70
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.
4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLU A 296
GLU A 293
LYS A  13
ARG A  46
TYR A 279
 None
 1.00A 4mwxA-4x0oA:
undetectable		 4mwxA-4x0oA:
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ARG A 257
ALA A 556
GLU A 559
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
None
3XR  A 802 ( 4.7A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.91A 4mwxA-4x6kA:
7.6		 4mwxA-4x6kA:
21.40
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ARG A 257
ASP A 282
GLU A 559
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
3XR  A 802 (-2.5A)
3XR  A 802 ( 4.7A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.63A 4mwxA-4x6kA:
7.6		 4mwxA-4x6kA:
21.40
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
ALA A 538
GLU A 541
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.05A 4mwxA-4xhbA:
18.7		 4mwxA-4xhbA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
ASP A 270
GLU A 541
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.62A 4mwxA-4xhbA:
18.7		 4mwxA-4xhbA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 290
ASP A 315
GLU A 584
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
G39  A 801 (-3.2A)
G39  A 801 ( 4.7A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.76A 4mwxA-4yw5A:
7.6		 4mwxA-4yw5A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 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
ARG A 388
ALA A 412
GLU A 423
 None
 1.42A 4mwxA-5kbrA:
undetectable		 4mwxA-5kbrA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ARG A 330
GLU A 342
GLU A 333
LYS A 339
TYR A  36
 None
 1.13A 4mwxA-5vdnA:
undetectable		 4mwxA-5vdnA:
22.32
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 11 ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 E3M  A 511 (-3.0A)
E3M  A 511 (-3.6A)
E3M  A 511 (-2.9A)
None
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-3.1A)
E3M  A 511 (-2.3A)
E3M  A 511 ( 3.6A)
E3M  A 511 (-2.9A)
E3M  A 511 (-4.5A)
 0.26A 4mwxA-6br6A:
64.6		 4mwxA-6br6A:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 ARG A 250
ASP A 276
GLU A 645
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-3.3A)
G39  A 908 (-4.0A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.47A 4mwxA-6eksA:
5.6		 4mwxA-6eksA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6es9 ACYL-COA
DEHYDROGENASE

(Paracoccus
denitrificans) 		no annotation 5 ARG A  73
GLU A 477
GLU A  70
GLU A 487
ARG A 548
 None
 1.29A 4mwxA-6es9A:
undetectable		 4mwxA-6es9A:
9.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		3 ARG B 102
TRP A  72
ILE B 118
 None
 1.01A 4mwxA-1cp9B:
undetectable		 4mwxA-1cp9B:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e41 FADD PROTEIN

(Homo sapiens) 		PF00531
(Death) 		3 ARG A 113
TRP A 112
ILE A 126
 None
 0.55A 4mwxA-1e41A:
undetectable		 4mwxA-1e41A:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eo9
PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF12391
(PCDO_beta_N) 		3 ARG B 457
TRP B 449
ILE B 491
 SO4  B 999 (-4.0A)
None
None
 0.70A 4mwxA-1eo9B:
undetectable		 4mwxA-1eo9B:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		3 ARG A  22
TRP A  59
ILE A  19
 None
 1.05A 4mwxA-1f6yA:
undetectable		 4mwxA-1f6yA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		3 ARG A 286
TRP A 290
ILE A 498
 None
 1.11A 4mwxA-1fkmA:
undetectable		 4mwxA-1fkmA:
21.20
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 ARG A 587
TRP A 730
ILE A 737
 None
 0.90A 4mwxA-1h0hA:
undetectable		 4mwxA-1h0hA:
17.11
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.
1kzq MAJOR SURFACE
ANTIGEN P30

(Toxoplasma
gondii) 		PF04092
(SAG) 		3 ARG A  51
TRP A  81
ILE A  93
 None
 1.06A 4mwxA-1kzqA:
undetectable		 4mwxA-1kzqA:
21.65
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.
1ltm 36 KDA SOLUBLE LYTIC
TRANSGLYCOSYLASE

(Escherichia
coli) 		PF13406
(SLT_2) 		3 ARG A 118
TRP A 114
ILE A 122
 None
 1.08A 4mwxA-1ltmA:
undetectable		 4mwxA-1ltmA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nlr ENDO-1,4-BETA-GLUCAN
ASE

(Streptomyces
lividans) 		PF01670
(Glyco_hydro_12) 		3 ARG A 146
TRP A 148
ILE A 169
 None
 0.98A 4mwxA-1nlrA:
undetectable		 4mwxA-1nlrA:
22.53
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 152
TRP N 178
ILE N 222
 None
 0.32A 4mwxA-1nmbN:
72.9		 4mwxA-1nmbN:
78.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oa4 ENDO-BETA-1,4-GLUCAN
ASE

(Streptomyces
sp. 11AG8) 		PF01670
(Glyco_hydro_12) 		3 ARG A 146
TRP A 148
ILE A 169
 None
 1.01A 4mwxA-1oa4A:
undetectable		 4mwxA-1oa4A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ps6 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF04166
(PdxA) 		3 ARG A  28
TRP A  30
ILE A 315
 None
 0.70A 4mwxA-1ps6A:
undetectable		 4mwxA-1ps6A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rt8 FIMBRIN

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		3 ARG A 492
TRP A 488
ILE A 495
 None
 1.05A 4mwxA-1rt8A:
undetectable		 4mwxA-1rt8A:
21.22
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT

(Thauera
aromatica) 		PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 ARG A  46
TRP B 130
ILE A 280
 None
 0.85A 4mwxA-1sb3A:
undetectable		 4mwxA-1sb3A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uax RIBONUCLEASE HII

(Pyrococcus
horikoshii) 		PF01351
(RNase_HII) 		3 ARG A 195
TRP A 198
ILE A  73
 None
 1.11A 4mwxA-1uaxA:
undetectable		 4mwxA-1uaxA:
20.36
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.
1ule GALECTIN-2

(Coprinopsis
cinerea) 		PF00337
(Gal-bind_lectin) 		3 ARG A  66
TRP A  72
ILE A  48
 None
GAL  A 152 (-3.8A)
None
 1.01A 4mwxA-1uleA:
undetectable		 4mwxA-1uleA:
14.81
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		3 ARG A 509
TRP A 511
ILE A 497
 None
 0.95A 4mwxA-1ulvA:
undetectable		 4mwxA-1ulvA:
15.85
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 158
TRP A 185
ILE A 229
 None
 0.23A 4mwxA-1v0zA:
72.9		 4mwxA-1v0zA:
68.64
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 150
TRP A 177
ILE A 221
 IBA  A   1 (-3.9A)
None
IBA  A   1 ( 4.3A)
 0.47A 4mwxA-1vcjA:
53.7		 4mwxA-1vcjA:
31.45
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.
1w2u ENDOGLUCANASE

(Humicola grisea) 		PF01670
(Glyco_hydro_12) 		3 ARG A 146
TRP A 148
ILE A 170
 None
 0.93A 4mwxA-1w2uA:
undetectable		 4mwxA-1w2uA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w66 LIPOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03099
(BPL_LplA_LipB) 		3 ARG A 130
TRP A 134
ILE A 178
 None
 1.10A 4mwxA-1w66A:
undetectable		 4mwxA-1w66A:
19.01
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 153
TRP A 180
ILE A 224
 ABW  A1000 (-4.1A)
None
ABW  A1000 ( 4.7A)
 0.13A 4mwxA-1xogA:
74.5		 4mwxA-1xogA:
94.33
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.
1zca G ALPHA I/12

(Mus musculus) 		PF00503
(G-alpha) 		3 ARG A 233
TRP A 236
ILE A 274
 None
 1.01A 4mwxA-1zcaA:
undetectable		 4mwxA-1zcaA:
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.
2arc ARABINOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF02311
(AraC_binding) 		3 ARG A 101
TRP A 104
ILE A 153
 None
 1.03A 4mwxA-2arcA:
undetectable		 4mwxA-2arcA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ark FLAVODOXIN

(Aquifex
aeolicus) 		PF00258
(Flavodoxin_1) 		3 ARG A 157
TRP A 161
ILE A 176
 GOL  A 509 (-4.4A)
None
None
 0.87A 4mwxA-2arkA:
undetectable		 4mwxA-2arkA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ash QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Thermotoga
maritima) 		PF01702
(TGT) 		3 ARG A 160
TRP A 164
ILE A 103
 None
 0.97A 4mwxA-2ashA:
undetectable		 4mwxA-2ashA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5a HYPOTHETICAL PROTEIN
PH1109

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2) 		3 ARG A 131
TRP A 106
ILE A  15
 None
 1.03A 4mwxA-2d5aA:
undetectable		 4mwxA-2d5aA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f20 CONSERVED
HYPOTHETICAL
PROTEIN, WITH
CONSERVED DOMAIN

(Bacteroides
thetaiotaomicron) 		PF02586
(SRAP) 		3 ARG A 102
TRP A 187
ILE A 197
 None
 0.81A 4mwxA-2f20A:
undetectable		 4mwxA-2f20A:
20.36
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.
2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES

(Escherichia
coli) 		PF07995
(GSDH) 		3 ARG A 150
TRP A 232
ILE A 246
 None
EDO  A3002 (-4.6A)
None
 1.07A 4mwxA-2g8sA:
9.0		 4mwxA-2g8sA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		3 ARG A  90
TRP A  87
ILE A 128
 None
 1.00A 4mwxA-2h39A:
undetectable		 4mwxA-2h39A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h9f HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF04303
(PrpF) 		3 ARG A  40
TRP A 100
ILE A  73
 None
 0.92A 4mwxA-2h9fA:
undetectable		 4mwxA-2h9fA:
21.04
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 152
TRP A 178
ILE A 222
 None
 0.23A 4mwxA-2htvA:
62.7		 4mwxA-2htvA:
42.75
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.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 ARG A 152
TRP A 133
ILE A 106
 None
 0.88A 4mwxA-2i3aA:
undetectable		 4mwxA-2i3aA:
22.96
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.
2imj HYPOTHETICAL PROTEIN
DUF1348

(Pseudomonas
protegens) 		PF07080
(DUF1348) 		3 ARG A 147
TRP A 142
ILE A  78
 None
 0.97A 4mwxA-2imjA:
undetectable		 4mwxA-2imjA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jhn 3-METHYLADENINE
DNA-GLYCOSYLASE

(Archaeoglobus
fulgidus) 		PF00730
(HhH-GPD) 		3 ARG A  73
TRP A  69
ILE A   4
 None
 1.04A 4mwxA-2jhnA:
undetectable		 4mwxA-2jhnA:
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.
2pvz PRPF METHYLACONITATE
ISOMERASE

(Shewanella
oneidensis) 		PF04303
(PrpF) 		3 ARG A  43
TRP A 103
ILE A  76
 None
 0.91A 4mwxA-2pvzA:
undetectable		 4mwxA-2pvzA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfz TBC1 DOMAIN FAMILY
MEMBER 22A

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		3 ARG A 228
TRP A 232
ILE A 436
 None
 0.96A 4mwxA-2qfzA:
undetectable		 4mwxA-2qfzA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vea PHYTOCHROME-LIKE
PROTEIN CPH1

(Synechocystis
sp. PCC 6803) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		3 ARG A 177
TRP A 284
ILE A 187
 None
 0.77A 4mwxA-2veaA:
undetectable		 4mwxA-2veaA:
19.96
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.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		3 ARG A 179
TRP A 181
ILE A 280
 None
 0.83A 4mwxA-2x3kA:
undetectable		 4mwxA-2x3kA:
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 ARG A  91
TRP A 199
ILE A 168
 None
 1.05A 4mwxA-2y3sA:
undetectable		 4mwxA-2y3sA:
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		3 ARG A 677
TRP A 643
ILE A 699
 None
 0.73A 4mwxA-2yhgA:
undetectable		 4mwxA-2yhgA:
24.18
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.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		3 ARG A 297
TRP A 401
ILE A 326
 SO4  A 978 ( 3.8A)
None
SO4  A 978 (-4.7A)
 0.86A 4mwxA-3a21A:
undetectable		 4mwxA-3a21A:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans) 		no annotation 3 ARG A 762
TRP A 766
ILE A 755
 None
 1.00A 4mwxA-3c2gA:
undetectable		 4mwxA-3c2gA:
19.93
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 152
TRP A 178
ILE A 222
 ZMR  A 469 (-3.9A)
None
None
 0.10A 4mwxA-3ckzA:
64.2		 4mwxA-3ckzA:
47.95
Potential target for repurposing, i.e. matched protein structure has less than 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) 		3 ARG A 230
TRP A 233
ILE A 271
 None
 0.88A 4mwxA-3cx6A:
undetectable		 4mwxA-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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		3 ARG A 186
TRP A 191
ILE A 130
 None
 0.85A 4mwxA-3e8sA:
undetectable		 4mwxA-3e8sA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eo5 RESUSCITATION-PROMOT
ING FACTOR RPFB

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas)
PF07501
(G5) 		3 ARG A 333
TRP A 297
ILE A 337
 None
 0.84A 4mwxA-3eo5A:
undetectable		 4mwxA-3eo5A:
18.56
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		3 ARG A 283
TRP A 279
ILE A 286
 None
 0.95A 4mwxA-3fjyA:
undetectable		 4mwxA-3fjyA:
20.43
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.
3fot 15-O-ACETYLTRANSFERA
SE

(Fusarium
sporotrichioides) 		PF07428
(Tri3) 		3 ARG A  31
TRP A  19
ILE A 106
 None
 0.76A 4mwxA-3fotA:
undetectable		 4mwxA-3fotA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hft WBMS, POLYSACCHARIDE
DEACETYLASE INVOLVED
IN O-ANTIGEN
BIOSYNTHESIS

(Bordetella
bronchiseptica) 		no annotation 3 ARG A 171
TRP A 162
ILE A 149
 None
 0.92A 4mwxA-3hftA:
undetectable		 4mwxA-3hftA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4y CATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		3 ARG A 175
TRP A 172
ILE A 108
 None
 1.12A 4mwxA-3i4yA:
undetectable		 4mwxA-3i4yA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		3 ARG A  40
TRP A  35
ILE A 123
 None
 1.05A 4mwxA-3l8dA:
undetectable		 4mwxA-3l8dA:
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.
3mmw ENDOGLUCANASE

(Thermotoga
maritima) 		PF00150
(Cellulase) 		3 ARG A  14
TRP A 283
ILE A 311
 None
 0.86A 4mwxA-3mmwA:
undetectable		 4mwxA-3mmwA:
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.
3nt8 ANCYLOSTOMA SECRETED
PROTEIN 1

(Necator
americanus) 		PF00188
(CAP) 		3 ARG A  37
TRP A  74
ILE A  32
 None
 1.09A 4mwxA-3nt8A:
undetectable		 4mwxA-3nt8A:
21.57
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		3 ARG A 394
TRP A 396
ILE A   3
 None
 1.08A 4mwxA-3pt1A:
undetectable		 4mwxA-3pt1A:
22.85
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.
3q0i METHIONYL-TRNA
FORMYLTRANSFERASE

(Vibrio cholerae) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		3 ARG A 304
TRP A 307
ILE A 289
 None
 1.05A 4mwxA-3q0iA:
undetectable		 4mwxA-3q0iA:
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.
3q9n COA BINDING PROTEIN

(Escherichia
coli) 		PF13380
(CoA_binding_2) 		3 ARG A 128
TRP A 103
ILE A  12
 None
 1.05A 4mwxA-3q9nA:
undetectable		 4mwxA-3q9nA:
17.44
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.
3skv SSFX3

(Streptomyces
sp. SF2575) 		PF13472
(Lipase_GDSL_2) 		3 ARG A 323
TRP A 319
ILE A 346
 None
 0.96A 4mwxA-3skvA:
undetectable		 4mwxA-3skvA:
19.62
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.
3t63 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF12391
(PCDO_beta_N) 		3 ARG M 457
TRP M 449
ILE M 491
 BME  M   1 (-3.9A)
BME  M 542 (-4.4A)
None
 0.76A 4mwxA-3t63M:
undetectable		 4mwxA-3t63M:
21.78
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 152
TRP A 178
ILE A 222
 LNV  A 901 (-4.0A)
None
None
 0.11A 4mwxA-3ti8A:
64.9		 4mwxA-3ti8A:
43.36
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 152
TRP A 178
ILE A 222
 LNV  A 801 (-3.9A)
None
None
 0.09A 4mwxA-3tiaA:
64.7		 4mwxA-3tiaA:
42.07
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		3 ARG A  51
TRP A  53
ILE A  22
 None
 0.95A 4mwxA-3v7iA:
undetectable		 4mwxA-3v7iA:
20.70
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.
3wob HYPOTHETICAL PROTEIN

(Sus scrofa) 		PF01419
(Jacalin) 		3 ARG A  58
TRP A  63
ILE A  78
 None
 1.12A 4mwxA-3wobA:
undetectable		 4mwxA-3wobA:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		3 ARG A  13
TRP A  10
ILE A 374
 None
 1.02A 4mwxA-3wrfA:
undetectable		 4mwxA-3wrfA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x1l CRISPR SYSTEM CMR
SUBUNIT CMR5

(Archaeoglobus
fulgidus) 		PF09701
(Cas_Cmr5) 		3 ARG F  10
TRP F  97
ILE F   6
 None
 1.09A 4mwxA-3x1lF:
undetectable		 4mwxA-3x1lF:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4apw ALP12

(Clostridium
tetani) 		no annotation 3 ARG A  35
TRP A 312
ILE A  22
 None
 0.98A 4mwxA-4apwA:
undetectable		 4mwxA-4apwA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cge RESUSCITATION-PROMOT
ING FACTOR RPFE

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas) 		3 ARG A 146
TRP A 113
ILE A 150
 None
 0.92A 4mwxA-4cgeA:
undetectable		 4mwxA-4cgeA:
13.73
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		3 ARG A 149
TRP A 176
ILE A 220
 ZMR  A 700 (-4.0A)
None
None
 0.12A 4mwxA-4cpnA:
54.1		 4mwxA-4cpnA:
28.72
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.
4e04 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		3 ARG A 173
TRP A 280
ILE A 183
 None
 0.78A 4mwxA-4e04A:
undetectable		 4mwxA-4e04A:
21.26
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.
4g25 PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF16953
(PRORP)
PF17177
(PPR_long) 		3 ARG A 561
TRP A 563
ILE A 537
 None
 1.02A 4mwxA-4g25A:
undetectable		 4mwxA-4g25A:
21.31
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 152
TRP A 178
ILE A 222
 SLB  A 512 (-3.8A)
None
None
 0.08A 4mwxA-4h53A:
64.7		 4mwxA-4h53A:
49.23
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 152
TRP A 178
ILE A 222
 G39  A 509 (-3.9A)
None
G39  A 509 ( 4.1A)
 0.14A 4mwxA-4hzzA:
63.0		 4mwxA-4hzzA:
48.36
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.
4kl7 RESUSCITATION-PROMOT
ING FACTOR RPFB

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas) 		3 ARG A 333
TRP A 297
ILE A 337
 None
 0.89A 4mwxA-4kl7A:
undetectable		 4mwxA-4kl7A:
11.94
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 152
TRP A 178
ILE A 222
 27S  A 501 (-4.2A)
None
27S  A 501 ( 4.6A)
 0.15A 4mwxA-4mjuA:
62.5		 4mwxA-4mjuA:
43.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ow1 RESUSCITATION-PROMOT
ING FACTOR RPFC

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas) 		3 ARG A  51
TRP A  18
ILE A  55
 None
 0.83A 4mwxA-4ow1A:
undetectable		 4mwxA-4ow1A:
14.49
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  70
TRP A  97
ILE A 141
 None
 0.27A 4mwxA-4qn3A:
71.2		 4mwxA-4qn3A:
61.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4unf ENDONUCLEASE III-1

(Deinococcus
radiodurans) 		PF00730
(HhH-GPD) 		3 ARG A  33
TRP A  29
ILE A 228
 None
 0.98A 4mwxA-4unfA:
undetectable		 4mwxA-4unfA:
21.57
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.
4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG

(Haemophilus
influenzae) 		PF03595
(SLAC1) 		3 ARG A  99
TRP A 100
ILE A  96
 None
 1.08A 4mwxA-4ycrA:
undetectable		 4mwxA-4ycrA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		3 ARG A 261
TRP A 288
ILE A 258
 None
 1.11A 4mwxA-4z7rA:
undetectable		 4mwxA-4z7rA:
22.38
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		3 ARG A2074
TRP A2070
ILE A2080
 None
 1.12A 4mwxA-5a22A:
undetectable		 4mwxA-5a22A:
10.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bpt MGC81278 PROTEIN

(Xenopus laevis) 		PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4) 		3 ARG A  67
TRP A 108
ILE A  72
 None
 0.81A 4mwxA-5bptA:
7.1		 4mwxA-5bptA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c5b DCC-INTERACTING
PROTEIN 13-ALPHA

(Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3) 		3 ARG A 287
TRP A 297
ILE A 354
 None
 0.83A 4mwxA-5c5bA:
undetectable		 4mwxA-5c5bA:
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.
5c5b DCC-INTERACTING
PROTEIN 13-BETA

(Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3) 		3 ARG B 287
TRP B 297
ILE B 354
 None
 0.72A 4mwxA-5c5bB:
undetectable		 4mwxA-5c5bB:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 3 ARG A 199
TRP A 195
ILE A 162
 None
 1.00A 4mwxA-5czcA:
undetectable		 4mwxA-5czcA:
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.
5e27 RESUSCITATION-PROMOT
ING FACTOR RPFB

(Mycobacterium
tuberculosis) 		PF03990
(DUF348)
PF06737
(Transglycosylas)
PF07501
(G5) 		3 ARG A 333
TRP A 297
ILE A 337
 None
 0.81A 4mwxA-5e27A:
undetectable		 4mwxA-5e27A:
19.33
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.
5fhh ATP-DEPENDENT DNA
HELICASE PIF1

(Homo sapiens) 		PF02689
(Herpes_Helicase)
PF05970
(PIF1) 		3 ARG A 327
TRP A 297
ILE A 336
 None
 1.11A 4mwxA-5fhhA:
undetectable		 4mwxA-5fhhA:
21.96
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.
5h9x BETA-1,3-GLUCANASE

(Paenibacillus
barengoltzii) 		PF16483
(Glyco_hydro_64) 		3 ARG A 281
TRP A 421
ILE A 231
 None
 1.03A 4mwxA-5h9xA:
undetectable		 4mwxA-5h9xA:
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		3 ARG A 444
TRP A 143
ILE A 441
 SO4  A 809 (-2.9A)
None
SO4  A 809 ( 4.8A)
 0.96A 4mwxA-5jjhA:
undetectable		 4mwxA-5jjhA:
20.39
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.
5k1b WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40)
PF11816
(DUF3337) 		3 ARG B 476
TRP B 474
ILE B 551
 None
 1.07A 4mwxA-5k1bB:
8.8		 4mwxA-5k1bB:
20.56
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		3 ARG B 476
TRP B 474
ILE B 551
 None
 1.09A 4mwxA-5k1cB:
7.1		 4mwxA-5k1cB:
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.
5m22 HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 3 ARG B  44
TRP B 135
ILE B  62
 None
 1.06A 4mwxA-5m22B:
undetectable		 4mwxA-5m22B:
22.17
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.
5m85 SENSORY TRANSDUCTION
HISTIDINE KINASE

(Synechocystis
sp. PCC 6803) 		no annotation 3 ARG A 465
TRP A 553
ILE A 475
 None
 0.68A 4mwxA-5m85A:
undetectable		 4mwxA-5m85A:
10.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd7 KINESIN-LIKE PROTEIN
KIF20A

(Mus musculus) 		PF00225
(Kinesin) 		3 ARG C 386
TRP C 301
ILE C 400
 None
 0.80A 4mwxA-5nd7C:
undetectable		 4mwxA-5nd7C:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t3b GLYCOSIDE HYDROLASE

(Bacteroides
plebeius) 		no annotation 3 ARG A  88
TRP A  90
ILE A 454
 None
 0.85A 4mwxA-5t3bA:
undetectable		 4mwxA-5t3bA:
22.22
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.
5u77 OXYSTEROL-BINDING
PROTEIN-RELATED
PROTEIN 8

(Homo sapiens) 		no annotation 3 ARG A  18
TRP A  24
ILE A 104
 None
 0.77A 4mwxA-5u77A:
undetectable		 4mwxA-5u77A:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5way TRANSCRIPTIONAL
ACTIVATOR

(Streptococcus
pneumoniae) 		PF05043
(Mga)
PF08270
(PRD_Mga)
PF08280
(HTH_Mga) 		3 ARG A  66
TRP A  25
ILE A  68
 None
 1.03A 4mwxA-5wayA:
undetectable		 4mwxA-5wayA:
19.25
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 3 ARG A 152
TRP A 178
ILE A 222
 E3M  A 511 (-3.8A)
None
E3M  A 511 ( 4.3A)
 0.11A 4mwxA-6br6A:
64.6		 4mwxA-6br6A:
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.
6cl6 TAIL FIBER PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 3 ARG A 517
TRP A 522
ILE A 500
 None
 0.88A 4mwxA-6cl6A:
undetectable		 4mwxA-6cl6A:
13.70
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.
6d0s TBC1 DOMAIN FAMILY
MEMBER 22B

(Homo sapiens) 		no annotation 3 ARG A 216
TRP A 220
ILE A 424
 UNX  A 611 ( 4.2A)
None
None
 0.94A 4mwxA-6d0sA:
undetectable		 4mwxA-6d0sA:
14.15
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.
6gmb HYDROXYACID OXIDASE
1

(Homo sapiens) 		no annotation 3 ARG A 137
TRP A 224
ILE A 133
 None
 1.04A 4mwxA-6gmbA:
undetectable		 4mwxA-6gmbA:
10.44