SIMILAR PATTERNS OF AMINO ACIDS FOR 1FDS_A_ESTA350_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		11 SER A 142
VAL A 143
LEU A 149
TYR A 155
GLY A 186
PRO A 187
TYR A 218
HIS A 221
SER A 222
PHE A 259
MET A 279
 EST  A 350 (-3.0A)
EST  A 350 (-4.5A)
EST  A 350 (-4.4A)
EST  A 350 (-4.2A)
EST  A 350 (-4.1A)
EST  A 350 (-4.1A)
None
None
None
EST  A 350 (-4.0A)
EST  A 350 (-3.7A)
 0.42A 1fdsA-1a27A:
44.0		 1fdsA-1a27A:
100.00
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.
1cyd CARBONYL REDUCTASE

(Mus musculus) 		PF13561
(adh_short_C2) 		5 VAL A 138
TYR A 241
PRO A 144
SER A 191
PHE A 196
 IPA  A 246 ( 4.8A)
None
None
None
None
 1.44A 1fdsA-1cydA:
27.4		 1fdsA-1cydA:
25.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d5f E6AP HECT CATALYTIC
DOMAIN, E3 LIGASE

(Homo sapiens) 		PF00632
(HECT) 		5 VAL A 717
LEU A 500
GLY A 597
SER A 548
PHE A 552
 None
 1.42A 1fdsA-1d5fA:
undetectable		 1fdsA-1d5fA:
21.03
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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		5 VAL M 318
TYR M 322
GLY M 293
PRO M 289
PHE M 310
 None
 1.33A 1fdsA-1dwaM:
3.2		 1fdsA-1dwaM:
19.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		11 SER A 142
VAL A 143
LEU A 149
TYR A 155
GLY A 186
PRO A 187
TYR A 218
SER A 222
PHE A 226
PHE A 259
MET A 279
 EST  A 350 (-4.3A)
EST  A 350 (-4.8A)
EST  A 350 (-4.6A)
None
EST  A 350 (-4.0A)
EST  A 350 (-4.3A)
None
EST  A 350 (-4.4A)
None
EST  A 350 (-4.4A)
EST  A 350 (-3.6A)
 0.49A 1fdsA-1fdwA:
43.5		 1fdsA-1fdwA:
99.69
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.
1hfu LACCASE 1

(Coprinopsis
cinerea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A  82
GLY A  81
HIS A 109
SER A 110
PHE A 449
 None
None
CU  A 703 (-3.2A)
None
None
 1.47A 1fdsA-1hfuA:
undetectable		 1fdsA-1hfuA:
22.26
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.
1jmk SURFACTIN SYNTHETASE

(Bacillus
subtilis) 		PF00975
(Thioesterase) 		5 VAL C 168
GLY C 166
SER C 189
PHE C  87
MET C 105
 None
 1.32A 1fdsA-1jmkC:
5.1		 1fdsA-1jmkC:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 VAL A 192
LEU A 173
PRO A 195
SER A 205
PHE A 159
 None
 1.29A 1fdsA-1kwgA:
4.0		 1fdsA-1kwgA:
21.47
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 VAL A  90
GLY A  87
SER A 178
PHE A 218
MET A 462
 None
None
SO4  A 601 (-2.4A)
None
None
 1.40A 1fdsA-1kzhA:
2.8		 1fdsA-1kzhA:
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.
1mpy CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase) 		5 VAL A   5
LEU A 119
TYR A 120
PRO A   8
PHE A 174
 None
 1.46A 1fdsA-1mpyA:
undetectable		 1fdsA-1mpyA:
24.43
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.
1pgs PEPTIDE-N(4)-(N-ACET
YL-BETA-D-GLUCOSAMIN
YL)ASPARAGINE
AMIDASE F

(Elizabethkingia
meningoseptica) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		5 VAL A 159
LEU A 169
GLY A 158
TYR A 275
SER A 297
 None
 1.47A 1fdsA-1pgsA:
undetectable		 1fdsA-1pgsA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qql FIBROBLAST GROWTH
FACTOR 7/1 CHIMERA

(Homo sapiens;
Rattus
norvegicus) 		PF00167
(FGF) 		5 VAL A 109
LEU A  65
GLY A 110
PHE A 132
MET A  44
 None
 1.41A 1fdsA-1qqlA:
undetectable		 1fdsA-1qqlA:
18.61
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.
1uyp BETA-FRUCTOSIDASE

(Thermotoga
maritima) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 SER A 364
VAL A 363
TYR A 266
GLY A 362
PRO A 406
 None
 1.35A 1fdsA-1uypA:
undetectable		 1fdsA-1uypA:
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.
1v6z HYPOTHETICAL PROTEIN
TTHA0657

(Thermus
thermophilus) 		PF04452
(Methyltrans_RNA) 		5 VAL A  77
LEU A  85
GLY A 181
PRO A 182
MET A 113
 None
 1.43A 1fdsA-1v6zA:
3.7		 1fdsA-1v6zA:
27.33
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.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		5 VAL A 760
LEU A 776
TYR A 777
GLY A 725
PHE A 723
 None
 1.47A 1fdsA-1xfuA:
undetectable		 1fdsA-1xfuA:
17.37
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.
1z85 HYPOTHETICAL PROTEIN
TM1380

(Thermotoga
maritima) 		PF04452
(Methyltrans_RNA) 		5 VAL A 173
LEU A 144
GLY A 175
PRO A 176
SER A 181
 None
None
None
CL  A 223 (-4.5A)
None
 1.48A 1fdsA-1z85A:
3.0		 1fdsA-1z85A:
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		5 SER A 157
TYR A 372
GLY A 189
PRO A 190
PHE A 192
 None
 1.40A 1fdsA-2abjA:
undetectable		 1fdsA-2abjA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 SER A 163
VAL A  72
LEU A 104
GLY A 165
PHE A  76
 None
 1.42A 1fdsA-2dc0A:
undetectable		 1fdsA-2dc0A:
24.83
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.
2dt8 DEGV FAMILY PROTEIN

(Thermus
thermophilus) 		PF02645
(DegV) 		5 VAL A 159
LEU A 165
GLY A 271
PRO A 270
PHE A  49
 None
 1.38A 1fdsA-2dt8A:
undetectable		 1fdsA-2dt8A:
25.81
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.
2es3 THROMBOSPONDIN-1

(Homo sapiens) 		PF02210
(Laminin_G_2) 		5 VAL A 142
LEU A 161
GLY A  69
SER A 167
PHE A  70
 None
 1.43A 1fdsA-2es3A:
undetectable		 1fdsA-2es3A:
23.73
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.
2in2 PICORNAIN 3C

(Rhinovirus B) 		PF00548
(Peptidase_C3) 		5 VAL A  47
LEU A  77
GLY A  44
PRO A  43
MET A  16
 None
 1.41A 1fdsA-2in2A:
undetectable		 1fdsA-2in2A:
20.06
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.
2it1 362AA LONG
HYPOTHETICAL
MALTOSE/MALTODEXTRIN
TRANSPORT
ATP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00005
(ABC_tran) 		5 VAL A 206
LEU A 234
GLY A  36
PRO A  37
PHE A 229
 None
 1.40A 1fdsA-2it1A:
undetectable		 1fdsA-2it1A:
22.45
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.
2l29 INSULIN-LIKE GROWTH
FACTOR 2 RECEPTOR
VARIANT

(Homo sapiens) 		PF00878
(CIMR) 		5 SER A1600
LEU A1629
TYR A1606
TYR A1542
SER A1543
 None
 1.40A 1fdsA-2l29A:
undetectable		 1fdsA-2l29A:
14.24
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.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 SER A 184
LEU A 123
GLY A 278
TYR A 512
SER A 258
 None
 1.31A 1fdsA-2xn1A:
undetectable		 1fdsA-2xn1A:
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 SER A 255
VAL A 252
LEU A  57
GLY A 341
MET A  64
 None
 1.45A 1fdsA-2yxxA:
undetectable		 1fdsA-2yxxA:
22.59
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		5 SER A 370
VAL A 371
TYR A 383
GLY A 410
SER A 425
 None
 1.16A 1fdsA-2z5lA:
9.7		 1fdsA-2z5lA:
23.62
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 SER A 234
LEU A 415
TYR A 413
GLY A 232
PHE A 389
 None
NAD  A 500 ( 4.6A)
None
NAD  A 500 (-3.0A)
NAD  A 500 (-3.9A)
 1.46A 1fdsA-3b4wA:
4.9		 1fdsA-3b4wA:
22.88
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.
3d3q TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Staphylococcus
epidermidis) 		PF01715
(IPPT) 		5 VAL A  11
LEU A 113
TYR A 196
PHE A  81
MET A 288
 None
 1.43A 1fdsA-3d3qA:
4.5		 1fdsA-3d3qA:
20.21
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.
3e8x PUTATIVE
NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Bacillus
halodurans) 		PF13460
(NAD_binding_10) 		5 SER A 110
VAL A 111
TYR A 126
GLY A 150
PRO A 151
 NAP  A 500 (-3.1A)
None
NAP  A 500 (-4.5A)
None
NAP  A 500 ( 4.9A)
 0.77A 1fdsA-3e8xA:
19.5		 1fdsA-3e8xA:
20.92
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		5 VAL A 113
LEU A 103
GLY A 299
PHE A 265
PHE A 115
 None
 1.40A 1fdsA-3fcrA:
2.9		 1fdsA-3fcrA:
21.41
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.
3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN

(Bos taurus) 		PF03055
(RPE65) 		5 GLY A  46
PRO A  47
HIS A  59
PHE A  50
PHE A 526
 None
 1.41A 1fdsA-3fsnA:
undetectable		 1fdsA-3fsnA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gpu DNA GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		5 SER A 158
VAL A 159
GLY A 189
PRO A 188
MET A 207
 None
 1.44A 1fdsA-3gpuA:
undetectable		 1fdsA-3gpuA:
22.62
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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		5 VAL A   6
LEU A 120
TYR A 121
PHE A  69
PHE A 175
 None
 1.30A 1fdsA-3hq0A:
undetectable		 1fdsA-3hq0A:
24.21
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.
3i3o SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 SER A 180
TYR A 193
GLY A 224
PRO A 225
PHE A 243
 NAE  A 311 (-3.2A)
NAE  A 311 (-4.6A)
NAE  A 311 (-4.7A)
NAE  A 311 (-4.9A)
NAE  A 311 (-4.8A)
 0.55A 1fdsA-3i3oA:
26.0		 1fdsA-3i3oA:
23.41
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.
3i3o SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 SER A 180
VAL A 182
LEU A 190
PRO A 225
PHE A 243
 NAE  A 311 (-3.2A)
NAE  A 311 (-4.6A)
None
NAE  A 311 (-4.9A)
NAE  A 311 (-4.8A)
 1.40A 1fdsA-3i3oA:
26.0		 1fdsA-3i3oA:
23.41
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 155
LEU A 129
GLY A 157
HIS A 342
PHE A  97
 None
 1.24A 1fdsA-3ip1A:
8.6		 1fdsA-3ip1A:
23.23
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 VAL A 195
LEU A 189
TYR A 185
GLY A 197
PHE A 236
 None
 1.39A 1fdsA-3ktnA:
8.2		 1fdsA-3ktnA:
21.89
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 VAL A 384
LEU A 282
GLY A 288
PRO A 287
TYR A 372
 None
None
None
None
EDO  A 404 (-3.4A)
 1.46A 1fdsA-3lopA:
5.5		 1fdsA-3lopA:
25.07
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.
3md0 ARGININE/ORNITHINE
TRANSPORT SYSTEM
ATPASE

(Mycobacterium
tuberculosis) 		PF03308
(ArgK) 		5 VAL A 176
LEU A 178
GLY A  62
SER A  72
MET A 242
 None
None
None
GDP  A 335 (-3.1A)
None
 1.09A 1fdsA-3md0A:
4.8		 1fdsA-3md0A:
26.55
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.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 SER A 181
LEU A 120
GLY A 275
TYR A 509
SER A 255
 None
 1.36A 1fdsA-3mi6A:
undetectable		 1fdsA-3mi6A:
20.20
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.
3nxs LAO/AO TRANSPORT
SYSTEM ATPASE

(Mycolicibacterium
smegmatis) 		PF03308
(ArgK) 		5 VAL A 172
LEU A 174
GLY A  58
SER A  68
MET A 238
 None
None
None
GDP  A 327 (-2.7A)
None
 1.18A 1fdsA-3nxsA:
4.8		 1fdsA-3nxsA:
26.51
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.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		5 SER A  68
TYR A 139
HIS A 350
SER A 219
PHE A 408
 None
None
None
None
EDO  A 428 (-4.7A)
 1.35A 1fdsA-3qt3A:
undetectable		 1fdsA-3qt3A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r3s OXIDOREDUCTASE

(Salmonella
enterica) 		PF13561
(adh_short_C2) 		5 SER A 186
LEU A 196
GLY A 230
PRO A 231
PHE A 250
 FMT  A 295 ( 2.5A)
None
NAD  A 300 (-4.7A)
NAD  A 300 (-4.9A)
None
 1.24A 1fdsA-3r3sA:
24.6		 1fdsA-3r3sA:
24.51
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.
3r3s OXIDOREDUCTASE

(Salmonella
enterica) 		PF13561
(adh_short_C2) 		5 SER A 186
TYR A 199
GLY A 230
PRO A 231
PHE A 250
 FMT  A 295 ( 2.5A)
FMT  A 295 ( 4.2A)
NAD  A 300 (-4.7A)
NAD  A 300 (-4.9A)
None
 0.56A 1fdsA-3r3sA:
24.6		 1fdsA-3r3sA:
24.51
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		5 SER A 643
VAL A 644
TYR A 656
GLY A 683
PRO A 684
 NDP  A 802 (-3.2A)
None
None
NDP  A 802 (-4.6A)
None
 0.70A 1fdsA-3slkA:
19.9		 1fdsA-3slkA:
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 VAL A  26
LEU A 192
GLY A 145
SER A 156
MET A  18
 None
 1.41A 1fdsA-3stjA:
undetectable		 1fdsA-3stjA:
21.98
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.
3tk1 MEMBRANE
ATPASE/PROTEIN
KINASE

(Mycolicibacterium
thermoresistibile) 		PF03308
(ArgK) 		5 VAL A 170
LEU A 172
GLY A  56
SER A  66
MET A 236
 None
None
None
GDP  A 327 (-4.0A)
None
 1.24A 1fdsA-3tk1A:
3.9		 1fdsA-3tk1A:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vc7 PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 SER A 138
VAL A 139
TYR A 151
GLY A 182
PHE A 202
 GOL  A 301 (-3.6A)
None
None
GOL  A 301 ( 4.7A)
None
 0.99A 1fdsA-3vc7A:
27.5		 1fdsA-3vc7A:
26.35
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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ

(Streptoalloteichus
tenebrarius) 		PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C) 		5 VAL A 174
LEU A 241
TYR A 245
SER A 203
PHE A 170
 None
 1.23A 1fdsA-3vexA:
undetectable		 1fdsA-3vexA:
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.
3wgo MESO-DIAMINOPIMELATE
DEHYDROGENASE

(Clostridium
tetani) 		PF16654
(DAPDH_C) 		5 VAL A 305
LEU A 118
GLY A 126
PRO A 125
HIS A 102
 None
 1.47A 1fdsA-3wgoA:
8.5		 1fdsA-3wgoA:
23.06
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.
3wy8 SERINE PROTEASE

(Paenarthrobacter
nicotinovorans) 		no annotation 5 LEU A 141
GLY A 173
PRO A 174
SER A 181
PHE A 176
 None
 1.39A 1fdsA-3wy8A:
undetectable		 1fdsA-3wy8A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		5 SER A 237
LEU A 418
TYR A 416
GLY A 235
PHE A 392
 None
NAD  A1498 (-4.6A)
None
NAD  A1498 (-3.3A)
NAD  A1498 (-3.9A)
 1.44A 1fdsA-4a0mA:
3.7		 1fdsA-4a0mA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ajt PROTEIN Z-DEPENDENT
PROTEASE INHIBITOR

(Mus musculus) 		PF00079
(Serpin) 		5 LEU A 334
GLY A  66
HIS A  77
SER A  74
PHE A  83
 None
 1.44A 1fdsA-4ajtA:
undetectable		 1fdsA-4ajtA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9g CS6 FIMBRIAL SUBUNIT
B, CS6 FIMBRIAL
SUBUNIT A

(Escherichia
coli) 		PF16831
(CssAB) 		5 VAL A  41
LEU A 134
SER A 137
PHE A 138
PHE A 111
 None
 1.14A 1fdsA-4b9gA:
undetectable		 1fdsA-4b9gA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bms ALCLOHOL
DEHYDROGENASE/SHORT-
CHAIN DEHYDROGENASE

(Ralstonia sp.
DSMZ 6428) 		PF13561
(adh_short_C2) 		5 SER A 137
VAL A 138
LEU A 144
TYR A 150
GLY A 181
 NAP  A1250 (-3.1A)
None
None
NAP  A1250 (-4.8A)
NAP  A1250 (-4.9A)
 0.61A 1fdsA-4bmsA:
28.0		 1fdsA-4bmsA:
28.57
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.
4cr6 N-ACYLMANNOSAMINE
1-DEHYDROGENASE

(Flavobacterium
sp. 141-8) 		PF13561
(adh_short_C2) 		5 SER A 153
VAL A 154
TYR A 166
GLY A 197
PRO A 198
 None
 0.41A 1fdsA-4cr6A:
26.0		 1fdsA-4cr6A:
27.14
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.
4dqa UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF08522
(DUF1735)
PF13385
(Laminin_G_3) 		5 LEU A 253
TYR A 265
TYR A 237
SER A 274
MET A 212
 None
 1.45A 1fdsA-4dqaA:
undetectable		 1fdsA-4dqaA:
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 SER A 180
LEU A 119
GLY A 274
TYR A 508
SER A 254
 None
 1.34A 1fdsA-4fnqA:
undetectable		 1fdsA-4fnqA:
19.97
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.
4fye SIDF, INHIBITOR OF
GROWTH FAMILY,
MEMBER 3

(Legionella
pneumophila) 		no annotation 5 SER A 714
VAL A 713
TYR A  33
PHE A 140
PHE A 738
 None
 1.38A 1fdsA-4fyeA:
undetectable		 1fdsA-4fyeA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gpc HEME OXYGENASE

(Corynebacterium
diphtheriae) 		PF01126
(Heme_oxygenase) 		5 VAL A  63
LEU A  73
GLY A 122
PRO A 123
PHE A  68
 None
 1.48A 1fdsA-4gpcA:
undetectable		 1fdsA-4gpcA:
22.89
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 5 SER A 776
VAL A 777
LEU A 698
PHE A 784
MET A 740
 None
 1.28A 1fdsA-4jzaA:
undetectable		 1fdsA-4jzaA:
18.97
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.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		5 SER A 104
VAL A 101
PHE A 348
PHE A  87
MET A 181
 None
 1.46A 1fdsA-4meaA:
4.5		 1fdsA-4meaA:
21.47
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.
4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 GLY A  68
PRO A  60
HIS A 170
SER A 152
MET A 312
 None
None
2BY  A 501 (-4.1A)
2BY  A 501 ( 4.9A)
None
 1.42A 1fdsA-4mrmA:
5.4		 1fdsA-4mrmA:
23.68
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.
4mzl MYOSIN A TAIL DOMAIN
INTERACTING PROTEIN

(Plasmodium
falciparum) 		no annotation 5 VAL A  72
LEU A 131
GLY A 103
TYR A 130
SER A  96
 None
 1.46A 1fdsA-4mzlA:
undetectable		 1fdsA-4mzlA:
18.50
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.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 VAL A 587
LEU A 742
TYR A 744
GLY A 589
SER A 770
 None
 1.42A 1fdsA-4n3nA:
4.3		 1fdsA-4n3nA:
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.
4n8y PUTATIVE TRAP-TYPE
C4-DICARBOXYLATE
TRANSPORT SYSTEM,
BINDING PERIPLASMIC
PROTEIN (DCTP
SUBUNIT)

(Bradyrhizobium
sp. BTAi1) 		PF03480
(DctP) 		5 VAL A 302
LEU A 103
GLY A 175
SER A  89
PHE A 306
 None
 1.34A 1fdsA-4n8yA:
undetectable		 1fdsA-4n8yA:
24.93
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.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		5 VAL A   5
LEU A  13
GLY A   4
PRO A   3
PHE A 255
 None
 1.48A 1fdsA-4ou4A:
4.2		 1fdsA-4ou4A:
22.01
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		5 VAL A 174
LEU A 412
GLY A 373
PRO A 374
PHE A 170
 None
 1.39A 1fdsA-4qbuA:
undetectable		 1fdsA-4qbuA:
22.83
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.
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis) 		PF13458
(Peripla_BP_6) 		5 VAL A 169
LEU A 380
GLY A 151
PRO A 152
SER A 332
 None
None
None
None
GOL  A 503 ( 3.9A)
 1.30A 1fdsA-4rdcA:
5.2		 1fdsA-4rdcA:
21.79
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.
4txa ROQUIN-1

(Mus musculus) 		PF13445
(zf-RING_UBOX) 		5 LEU A 204
GLY A 196
PRO A 197
TYR A 276
PHE A 194
 None
 1.14A 1fdsA-4txaA:
undetectable		 1fdsA-4txaA:
24.30
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 SER A 243
LEU A 427
TYR A 425
GLY A 241
PHE A 401
 None
 1.40A 1fdsA-4u3wA:
5.0		 1fdsA-4u3wA:
21.89
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.
4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT

(Pseudomonas
mendocina) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 TYR A  34
GLY A 187
PRO A 188
SER A 131
PHE A 136
 None
None
None
BTB  A 406 (-3.6A)
None
 1.43A 1fdsA-4wqmA:
2.8		 1fdsA-4wqmA:
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		5 SER A  10
VAL A  72
GLY A  65
PRO A  66
PHE A  69
 NA  A 302 (-3.5A)
None
None
None
None
 1.47A 1fdsA-4y0wA:
2.3		 1fdsA-4y0wA:
24.42
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.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 SER A 144
LEU A 151
TYR A 157
GLY A 188
PHE A 255
 None
 1.03A 1fdsA-4yacA:
29.5		 1fdsA-4yacA:
28.14
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.
4z31 ROQUIN-2

(Homo sapiens) 		no annotation 5 LEU A 201
GLY A 193
PRO A 194
TYR A 273
PHE A 191
 None
UNX  A1001 ( 3.6A)
None
None
None
 1.16A 1fdsA-4z31A:
undetectable		 1fdsA-4z31A:
25.85
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.
4zad FDC1

(Candida
dubliniensis) 		PF01977
(UbiD) 		5 SER A 339
VAL A 338
LEU A 409
GLY A 336
HIS A 291
 None
 1.24A 1fdsA-4zadA:
undetectable		 1fdsA-4zadA:
21.83
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.
4zlc ROQUIN-2

(Homo sapiens) 		no annotation 5 LEU A 201
GLY A 193
PRO A 194
TYR A 273
PHE A 191
 None
 1.09A 1fdsA-4zlcA:
undetectable		 1fdsA-4zlcA:
18.89
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.
4zpq MCG133388, ISOFORM
CRA_F

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 VAL A 275
LEU A 222
TYR A 287
GLY A 277
PRO A 278
 None
 1.40A 1fdsA-4zpqA:
undetectable		 1fdsA-4zpqA:
25.87
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 SER A 206
VAL A 204
LEU A 167
GLY A 208
PRO A 209
 None
 1.23A 1fdsA-5a22A:
8.3		 1fdsA-5a22A:
9.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f5f ROQUIN-1

(Mus musculus) 		no annotation 5 LEU A 204
GLY A 196
PRO A 197
TYR A 276
PHE A 194
 None
G  H   2 ( 4.3A)
A  H  20 ( 4.6A)
None
None
 1.14A 1fdsA-5f5fA:
undetectable		 1fdsA-5f5fA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 VAL A 420
LEU A 367
GLY A 423
PRO A 424
SER A 324
 None
 1.36A 1fdsA-5fbzA:
3.7		 1fdsA-5fbzA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 SER A 648
VAL A 647
TYR A 564
GLY A 591
PHE A 677
 None
 1.44A 1fdsA-5gzuA:
3.0		 1fdsA-5gzuA:
16.61
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 146
PRO A 147
TYR A 618
SER A 204
PHE A 208
 None
 1.42A 1fdsA-5i68A:
3.5		 1fdsA-5i68A:
19.70
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.
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 SER A 206
VAL A 207
TYR A 219
GLY A 250
PRO A 251
 NAD  A 901 (-3.1A)
None
NAD  A 901 (-4.6A)
IOD  A 903 (-4.5A)
IOD  A 903 (-4.4A)
 0.42A 1fdsA-5jydA:
25.4		 1fdsA-5jydA:
21.90
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.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME

(Pseudomonas
savastanoi) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 VAL A 119
PRO A 122
SER A  55
PHE A  58
MET A 134
 None
 1.15A 1fdsA-5lunA:
undetectable		 1fdsA-5lunA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 VAL B 109
LEU B 274
GLY B 110
PRO B 111
PHE B 310
 None
 1.26A 1fdsA-5lw7B:
undetectable		 1fdsA-5lw7B:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mwn LLAMA NANOBODY
RAISED AGAINST TSSK,
NBK27

(Lama glama) 		PF07686
(V-set) 		5 VAL N   2
LEU N  29
GLY N  26
SER N  76
MET N  34
 None
 1.42A 1fdsA-5mwnN:
undetectable		 1fdsA-5mwnN:
16.51
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.
5mz9 -

(-) 		no annotation 5 SER A 626
VAL A 627
GLY A 628
SER A 300
PHE A 698
 None
 1.38A 1fdsA-5mz9A:
undetectable		 1fdsA-5mz9A:
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.
5ouo PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 5 VAL A 931
LEU A 848
PHE A 927
PHE A 941
MET A1026
 None
 1.36A 1fdsA-5ouoA:
undetectable		 1fdsA-5ouoA:
10.98
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 5 TYR A 149
GLY A 136
TYR A  28
PHE A  36
PHE A 168
 None
AZ8  A 302 ( 3.5A)
None
SAH  A 301 (-3.4A)
AZ8  A 302 (-4.8A)
 1.24A 1fdsA-5ufmA:
6.2		 1fdsA-5ufmA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 VAL B 996
LEU B1009
GLY B 997
SER B1016
MET B1021
 None
 1.44A 1fdsA-5vniB:
2.9		 1fdsA-5vniB:
17.53
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.
5wva SHORT-CHAIN
DEHYDROGENASE

(Serratia
marcescens) 		no annotation 5 SER A 144
TYR A 158
GLY A 189
PRO A 190
PHE A 247
 None
 1.22A 1fdsA-5wvaA:
26.7		 1fdsA-5wvaA:
13.23
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.
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis) 		no annotation 5 LEU A 150
GLY A  86
SER A 233
PHE A 236
MET A 162
 LEU  A 150 ( 0.6A)
GLY  A  86 ( 0.0A)
SER  A 233 ( 0.0A)
PHE  A 236 ( 1.3A)
MET  A 162 ( 0.0A)
 1.42A 1fdsA-5xluA:
undetectable		 1fdsA-5xluA:
13.97
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.
5y3t E3 UBIQUITIN-PROTEIN
LIGASE RNF31
SHARPIN

(Mus musculus) 		no annotation 5 VAL B 486
LEU C 229
GLY B 482
SER C 231
PHE C 293
 None
 1.03A 1fdsA-5y3tB:
undetectable		 1fdsA-5y3tB:
18.03
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A 284
LEU A 401
GLY A 286
SER A 435
PHE A 386
 None
 1.22A 1fdsA-5y58A:
3.7		 1fdsA-5y58A:
12.07
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.
5yxg PILUS ASSEMBLY
PROTEIN

(Lactobacillus
rhamnosus) 		no annotation 5 LEU A 249
TYR A 321
GLY A 353
PRO A 354
MET A 329
 SME  A 244 ( 3.8A)
None
None
None
None
 1.30A 1fdsA-5yxgA:
undetectable		 1fdsA-5yxgA:
15.94
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.
5z24 PILUS ASSEMBLY
PROTEIN

(Lactobacillus
rhamnosus) 		no annotation 5 LEU A 249
TYR A 321
GLY A 353
PRO A 354
MET A 329
 None
 1.28A 1fdsA-5z24A:
undetectable		 1fdsA-5z24A:
14.03
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 5 VAL A2027
LEU A1952
GLY A2023
SER A1947
PHE A1872
 None
 1.36A 1fdsA-6bq1A:
undetectable		 1fdsA-6bq1A:
0.00
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT A, VACUOLAR
ISOFORM

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 736
GLY A 424
SER A 797
PHE A 419
MET A 543
 None
 1.45A 1fdsA-6c6lA:
undetectable		 1fdsA-6c6lA:
11.08
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.
6d7a PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 5 VAL A 944
LEU A 861
PHE A 940
PHE A 954
MET A1039
 None
 1.35A 1fdsA-6d7aA:
undetectable		 1fdsA-6d7aA:
13.50