SIMILAR PATTERNS OF AMINO ACIDS FOR 2QWX_A_ML1A233_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		4 PHE A 120
ILE A   6
GLY A 177
ILE A 179
 None
 0.98A 2qwxA-1cp2A:
6.0
2qwxB-1cp2A:
5.9		 2qwxA-1cp2A:
22.65
2qwxB-1cp2A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 PHE A 348
ILE A 419
PHE A 293
GLY A 302
 None
 0.97A 2qwxA-1dedA:
undetectable
2qwxB-1dedA:
undetectable		 2qwxA-1dedA:
17.69
2qwxB-1dedA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h6h NEUTROPHIL CYTOSOL
FACTOR 4

(Homo sapiens) 		PF00787
(PX) 		4 PHE A 133
ILE A  43
PHE A 132
ILE A 106
 None
 0.93A 2qwxA-1h6hA:
undetectable
2qwxB-1h6hA:
undetectable		 2qwxA-1h6hA:
20.00
2qwxB-1h6hA:
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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		4 PHE A 107
ILE A  84
PHE A 130
GLY A 119
 None
 0.90A 2qwxA-1ia5A:
undetectable
2qwxB-1ia5A:
undetectable		 2qwxA-1ia5A:
20.95
2qwxB-1ia5A:
20.95
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ILE A 378
PHE A  12
GLY A 374
ILE A 466
 None
 0.99A 2qwxA-1mewA:
undetectable
2qwxB-1mewA:
undetectable		 2qwxA-1mewA:
17.71
2qwxB-1mewA:
17.71
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 PHE A 282
PHE A 272
GLY A 299
ILE A 294
 ABL  A 901 (-4.1A)
None
None
None
 0.98A 2qwxA-1naaA:
2.5
2qwxB-1naaA:
3.0		 2qwxA-1naaA:
17.77
2qwxB-1naaA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 272
ILE A 268
PHE A 292
GLY A 115
 None
 0.94A 2qwxA-1o99A:
4.1
2qwxB-1o99A:
4.3		 2qwxA-1o99A:
18.69
2qwxB-1o99A:
18.69
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.
1oby SYNTENIN 1

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A 269
GLY A 231
MET A 201
ILE A 221
 None
 0.72A 2qwxA-1obyA:
undetectable
2qwxB-1obyA:
undetectable		 2qwxA-1obyA:
16.82
2qwxB-1obyA:
16.82
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.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 PHE A 441
ILE A 439
TRP A 371
GLY A 375
 None
 0.98A 2qwxA-1pvdA:
3.1
2qwxB-1pvdA:
3.0		 2qwxA-1pvdA:
18.39
2qwxB-1pvdA:
18.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrd QUINONE-REDUCTASE

(Rattus rattus) 		PF02525
(Flavodoxin_2) 		4 TRP A 105
PHE A 106
GLY A 149
MET A 154
 DQN  A 276 ( 3.6A)
DQN  A 276 ( 4.2A)
CBD  A 275 ( 3.7A)
CBD  A 275 ( 4.4A)
 0.45A 2qwxA-1qrdA:
29.6
2qwxB-1qrdA:
29.7		 2qwxA-1qrdA:
41.88
2qwxB-1qrdA:
41.88
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.
1r55 ADAM 33

(Homo sapiens) 		PF01421
(Reprolysin) 		4 ILE A 253
PHE A 397
GLY A 348
MET A 319
 None
 0.92A 2qwxA-1r55A:
2.7
2qwxB-1r55A:
2.7		 2qwxA-1r55A:
21.60
2qwxB-1r55A:
21.60
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.
1sfs HYPOTHETICAL PROTEIN

(Geobacillus
stearothermophilus) 		PF08924
(DUF1906) 		4 PHE A  68
ILE A 103
GLY A 129
ILE A 159
 None
 0.83A 2qwxA-1sfsA:
undetectable
2qwxB-1sfsA:
undetectable		 2qwxA-1sfsA:
22.26
2qwxB-1sfsA:
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 ILE A 448
PHE A 442
GLY A 595
ILE A 482
 None
 0.87A 2qwxA-1suvA:
2.8
2qwxB-1suvA:
2.5		 2qwxA-1suvA:
17.48
2qwxB-1suvA:
17.48
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.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 PHE P 348
ILE P 269
PHE P 285
GLY P 266
 None
 0.87A 2qwxA-1svcP:
undetectable
2qwxB-1svcP:
undetectable		 2qwxA-1svcP:
20.71
2qwxB-1svcP:
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.
1um7 SYNAPSE-ASSOCIATED
PROTEIN 102

(Homo sapiens) 		PF00595
(PDZ) 		4 PHE A  42
ILE A  41
PHE A 105
GLY A  38
 None
 0.86A 2qwxA-1um7A:
undetectable
2qwxB-1um7A:
undetectable		 2qwxA-1um7A:
20.96
2qwxB-1um7A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vl7 HYPOTHETICAL PROTEIN
ALR5027

(Nostoc sp. PCC
7120) 		PF01243
(Putative_PNPOx) 		4 PHE A  39
ILE A  41
PHE A  71
GLY A  13
 None
 0.96A 2qwxA-1vl7A:
undetectable
2qwxB-1vl7A:
undetectable		 2qwxA-1vl7A:
21.67
2qwxB-1vl7A:
21.67
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.
1y96 GEM-ASSOCIATED
PROTEIN 6
GEM-ASSOCIATED
PROTEIN 7

(Homo sapiens) 		PF06372
(Gemin6)
PF11095
(Gemin7) 		4 PHE A  86
PHE B  92
GLY A  59
ILE A  44
 None
 0.92A 2qwxA-1y96A:
undetectable
2qwxB-1y96A:
undetectable		 2qwxA-1y96A:
15.02
2qwxB-1y96A:
15.02
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.
1yv9 HYDROLASE, HALOACID
DEHALOGENASE FAMILY

(Enterococcus
faecalis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ILE A 204
PHE A  29
GLY A 207
ILE A 214
 None
 0.94A 2qwxA-1yv9A:
3.5
2qwxB-1yv9A:
3.3		 2qwxA-1yv9A:
21.99
2qwxB-1yv9A:
21.99
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.
1yw1 PROTEIN YTNJ

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		4 PHE A  38
ILE A  13
GLY A 389
ILE A 387
 None
 0.94A 2qwxA-1yw1A:
undetectable
2qwxB-1yw1A:
undetectable		 2qwxA-1yw1A:
19.64
2qwxB-1yw1A:
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.
2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		4 PHE A 150
ILE A  56
PHE A 146
ILE A  12
 None
 0.96A 2qwxA-2bu2A:
undetectable
2qwxB-2bu2A:
undetectable		 2qwxA-2bu2A:
19.70
2qwxB-2bu2A:
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.
2dyb NEUTROPHIL CYTOSOL
FACTOR 4

(Homo sapiens) 		PF00018
(SH3_1)
PF00564
(PB1)
PF00787
(PX) 		4 PHE A 133
ILE A  43
PHE A 132
ILE A 106
 None
 0.87A 2qwxA-2dybA:
undetectable
2qwxB-2dybA:
undetectable		 2qwxA-2dybA:
22.44
2qwxB-2dybA:
22.44
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ILE A 142
PHE A 384
GLY A 147
ILE A 307
 None
 0.89A 2qwxA-2e7zA:
3.3
2qwxB-2e7zA:
3.3		 2qwxA-2e7zA:
16.48
2qwxB-2e7zA:
16.48
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.
2ew0 HYPOTHETICAL PROTEIN
ACIAD0353

(Acinetobacter
sp. ADP1) 		PF02622
(DUF179) 		4 PHE A  22
ILE A  41
PHE A  21
GLY A 126
 None
 0.99A 2qwxA-2ew0A:
undetectable
2qwxB-2ew0A:
undetectable		 2qwxA-2ew0A:
19.51
2qwxB-2ew0A:
19.51
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.
2gf2 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ILE A 135
PHE A 154
GLY A 205
ILE A 210
 None
 0.87A 2qwxA-2gf2A:
6.5
2qwxB-2gf2A:
6.4		 2qwxA-2gf2A:
24.30
2qwxB-2gf2A:
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.
2gtt NUCLEOPROTEIN

(Rabies
lyssavirus) 		PF00945
(Rhabdo_ncap) 		4 ILE A 312
PHE A 260
GLY A 306
MET A 272
 None
 0.98A 2qwxA-2gttA:
undetectable
2qwxB-2gttA:
undetectable		 2qwxA-2gttA:
21.64
2qwxB-2gttA:
21.64
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 271
ILE A 267
PHE A 291
GLY A 114
 None
 0.95A 2qwxA-2ifyA:
4.2
2qwxB-2ifyA:
4.3		 2qwxA-2ifyA:
19.13
2qwxB-2ifyA:
19.13
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.
2iq7 ENDOPOLYGALACTURONAS
E

(Colletotrichum
lupini) 		PF00295
(Glyco_hydro_28) 		4 PHE A 126
ILE A 103
PHE A 149
GLY A 138
 None
 0.92A 2qwxA-2iq7A:
undetectable
2qwxB-2iq7A:
undetectable		 2qwxA-2iq7A:
20.58
2qwxB-2iq7A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o9r BETA-GLUCOSIDASE B

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		4 ILE A 342
PHE A 256
GLY A 294
ILE A 354
 None
 0.99A 2qwxA-2o9rA:
undetectable
2qwxB-2o9rA:
undetectable		 2qwxA-2o9rA:
19.56
2qwxB-2o9rA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pvu ARTJ

(Geobacillus
stearothermophilus) 		PF00497
(SBP_bac_3) 		4 ILE A  84
PHE A 240
GLY A  44
ILE A  42
 None
 0.96A 2qwxA-2pvuA:
undetectable
2qwxB-2pvuA:
undetectable		 2qwxA-2pvuA:
22.18
2qwxB-2pvuA:
22.18
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.
2v73 PUTATIVE
EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF02973
(Sialidase) 		4 ILE A  40
PHE A 135
GLY A  56
ILE A 146
 None
 0.78A 2qwxA-2v73A:
undetectable
2qwxB-2v73A:
undetectable		 2qwxA-2v73A:
21.43
2qwxB-2v73A:
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 ILE A 482
PHE A 460
GLY A 447
ILE A 476
 None
None
None
SN5  A1564 (-3.5A)
 0.96A 2qwxA-2wk2A:
undetectable
2qwxB-2wk2A:
undetectable		 2qwxA-2wk2A:
18.75
2qwxB-2wk2A:
18.75
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.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		4 PHE A 271
ILE A 331
TRP A  95
GLY A 236
 None
 0.93A 2qwxA-2x5fA:
undetectable
2qwxB-2x5fA:
2.7		 2qwxA-2x5fA:
19.23
2qwxB-2x5fA:
19.23
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 PHE A 125
ILE A 134
PHE A  88
GLY A 273
 None
 0.97A 2qwxA-2xf2A:
4.6
2qwxB-2xf2A:
4.2		 2qwxA-2xf2A:
14.96
2qwxB-2xf2A:
14.96
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 ILE A 408
GLY A 395
MET A  29
ILE A 392
 None
 0.78A 2qwxA-2zxhA:
undetectable
2qwxB-2zxhA:
undetectable		 2qwxA-2zxhA:
16.06
2qwxB-2zxhA:
16.06
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.
2zzw ABC TRANSPORTER,
SOLUTE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF03480
(DctP) 		4 PHE A 188
ILE A 160
PHE A 172
GLY A 238
 None
 0.91A 2qwxA-2zzwA:
undetectable
2qwxB-2zzwA:
undetectable		 2qwxA-2zzwA:
19.45
2qwxB-2zzwA:
19.45
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.
3c9b VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 75

(Saccharomyces
cerevisiae) 		PF00956
(NAP) 		4 PHE A 125
ILE A 105
TRP A 185
ILE A  83
 None
 0.89A 2qwxA-3c9bA:
undetectable
2qwxB-3c9bA:
undetectable		 2qwxA-3c9bA:
22.22
2qwxB-3c9bA:
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.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		4 ILE A 471
PHE A 388
GLY A 608
ILE A 657
 None
 0.92A 2qwxA-3d3lA:
undetectable
2qwxB-3d3lA:
undetectable		 2qwxA-3d3lA:
18.68
2qwxB-3d3lA:
18.68
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		4 ILE A 400
PHE A 505
GLY A 480
ILE A 476
 None
 0.99A 2qwxA-3h9cA:
2.8
2qwxB-3h9cA:
2.4		 2qwxA-3h9cA:
18.55
2qwxB-3h9cA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF19

(Schizosaccharomyces
pombe) 		no annotation 4 PHE c 628
ILE c 477
PHE c 624
ILE c 505
 None
 0.86A 2qwxA-3jb9c:
undetectable
2qwxB-3jb9c:
undetectable		 2qwxA-3jb9c:
16.95
2qwxB-3jb9c:
16.95
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.
3jv4 NUCLEAR FACTOR
NF-KAPPA-B P105
SUBUNIT

(Mus musculus) 		PF16179
(RHD_dimer) 		4 PHE B 345
ILE B 266
PHE B 282
GLY B 263
 None
 0.89A 2qwxA-3jv4B:
undetectable
2qwxB-3jv4B:
undetectable		 2qwxA-3jv4B:
22.86
2qwxB-3jv4B:
22.86
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.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A 160
PHE A 237
PHE A 239
ILE A 182
 None
 0.89A 2qwxA-3k4xA:
undetectable
2qwxB-3k4xA:
undetectable		 2qwxA-3k4xA:
14.67
2qwxB-3k4xA:
14.67
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.
3k8z NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ILE A 118
GLY A 136
MET A 166
ILE A 141
 None
 0.97A 2qwxA-3k8zA:
2.6
2qwxB-3k8zA:
3.1		 2qwxA-3k8zA:
19.91
2qwxB-3k8zA:
19.91
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Homo sapiens) 		PF03483
(B3_4)
PF03484
(B5) 		4 PHE B 588
ILE B 583
MET B 404
ILE B 511
 None
 0.84A 2qwxA-3l4gB:
undetectable
2qwxB-3l4gB:
undetectable		 2qwxA-3l4gB:
16.64
2qwxB-3l4gB:
16.64
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.
3lhi PUTATIVE
6-PHOSPHOGLUCONOLACT
ONASE

(Neisseria
gonorrhoeae) 		PF01182
(Glucosamine_iso) 		4 PHE A 201
ILE A 214
TRP A   4
ILE A 182
 None
 0.98A 2qwxA-3lhiA:
undetectable
2qwxB-3lhiA:
2.5		 2qwxA-3lhiA:
22.35
2qwxB-3lhiA:
22.35
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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 ILE A 397
PHE A 226
GLY A 428
ILE A 415
 None
 0.93A 2qwxA-3mogA:
5.1
2qwxB-3mogA:
5.1		 2qwxA-3mogA:
19.88
2qwxB-3mogA:
19.88
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.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		4 PHE A  20
PHE A  34
GLY A  62
ILE A  50
 None
 0.88A 2qwxA-3o7tA:
undetectable
2qwxB-3o7tA:
undetectable		 2qwxA-3o7tA:
23.61
2qwxB-3o7tA:
23.61
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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 4 PHE B 239
ILE B 232
PHE B 268
GLY B 276
 None
 0.94A 2qwxA-3ogkB:
undetectable
2qwxB-3ogkB:
undetectable		 2qwxA-3ogkB:
18.66
2qwxB-3ogkB:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnr FALCIPAIN 2

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		4 ILE A 146
PHE A  17
GLY A 180
ILE A 202
 None
 0.90A 2qwxA-3pnrA:
undetectable
2qwxB-3pnrA:
undetectable		 2qwxA-3pnrA:
23.05
2qwxB-3pnrA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q35 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 75

(Saccharomyces
cerevisiae) 		PF00956
(NAP) 		4 PHE B 125
ILE B 105
TRP B 185
ILE B  83
 None
 0.94A 2qwxA-3q35B:
undetectable
2qwxB-3q35B:
undetectable		 2qwxA-3q35B:
23.68
2qwxB-3q35B:
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.
3q60 ROP5B

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		4 PHE A 265
PHE A 249
GLY A 243
MET A 206
 MLI  A 601 (-4.8A)
None
ATP  A 600 (-3.3A)
None
 0.90A 2qwxA-3q60A:
undetectable
2qwxB-3q60A:
undetectable		 2qwxA-3q60A:
20.59
2qwxB-3q60A:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
PHE A 106
GLY A 149
MET A 154
ILE A 194
 FAD  A 232 ( 4.3A)
FAD  A 232 ( 4.6A)
FAD  A 232 (-3.6A)
None
None
 0.32A 2qwxA-3te7A:
39.7
2qwxB-3te7A:
39.0		 2qwxA-3te7A:
100.00
2qwxB-3te7A:
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.
3v6o LEPTIN RECEPTOR
MONOCLONAL ANTIBODY
9F8 FAB FRAGMENT
HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
no annotation 		4 ILE C  26
PHE A 504
GLY C  35
ILE C  53
 None
ACT  C 301 (-3.8A)
None
None
 0.96A 2qwxA-3v6oC:
undetectable
2qwxB-3v6oC:
undetectable		 2qwxA-3v6oC:
23.97
2qwxB-3v6oC:
23.97
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.
3vr5 V-TYPE SODIUM ATPASE
SUBUNIT D
V-TYPE SODIUM ATPASE
SUBUNIT G

(Enterococcus
hirae) 		PF01813
(ATP-synt_D)
PF01990
(ATP-synt_F) 		4 ILE H  74
GLY H  46
MET G 105
ILE H   5
 None
 0.95A 2qwxA-3vr5H:
undetectable
2qwxB-3vr5H:
undetectable		 2qwxA-3vr5H:
19.91
2qwxB-3vr5H:
19.91
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.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 ILE A 426
PHE A 603
GLY A 519
ILE A 461
 None
 0.81A 2qwxA-3vu2A:
undetectable
2qwxB-3vu2A:
undetectable		 2qwxA-3vu2A:
15.40
2qwxB-3vu2A:
15.40
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.
3w8s GLUTATHIONE
S-TRANSFERASE-3

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ILE A  99
PHE A 167
GLY A  13
MET A 110
 None
 0.80A 2qwxA-3w8sA:
undetectable
2qwxB-3w8sA:
undetectable		 2qwxA-3w8sA:
23.65
2qwxB-3w8sA:
23.65
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.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Corynebacterium
glutamicum;
Klebsiella
pneumoniae) 		PF13561
(adh_short_C2) 		4 ILE A  14
PHE A 209
GLY A 183
ILE A 249
 NAD  A 301 (-3.8A)
None
NAD  A 301 (-4.9A)
None
 0.82A 2qwxA-3wyeA:
5.9
2qwxB-3wyeA:
6.0		 2qwxA-3wyeA:
22.10
2qwxB-3wyeA:
22.10
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.
4ak1 BT_4661

(Bacteroides
thetaiotaomicron) 		PF16319
(DUF4958) 		4 ILE A  23
PHE A  61
PHE A  56
GLY A  81
 None
 0.99A 2qwxA-4ak1A:
undetectable
2qwxB-4ak1A:
undetectable		 2qwxA-4ak1A:
16.22
2qwxB-4ak1A:
16.22
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.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		4 PHE A 106
ILE A 108
PHE A 191
GLY A 176
 None
 0.65A 2qwxA-4au7A:
undetectable
2qwxB-4au7A:
undetectable		 2qwxA-4au7A:
22.86
2qwxB-4au7A:
22.86
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.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 PHE A 130
ILE A 385
PHE A  90
ILE A 117
 None
 0.94A 2qwxA-4b99A:
undetectable
2qwxB-4b99A:
undetectable		 2qwxA-4b99A:
19.80
2qwxB-4b99A:
19.80
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.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		4 PHE A 467
ILE A 407
GLY A 574
ILE A 595
 None
 0.98A 2qwxA-4bl3A:
undetectable
2qwxB-4bl3A:
undetectable		 2qwxA-4bl3A:
18.21
2qwxB-4bl3A:
18.21
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.
4by6 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF04054
(Not1) 		4 PHE A1669
ILE A1672
GLY A1644
ILE A1640
 None
 0.92A 2qwxA-4by6A:
undetectable
2qwxB-4by6A:
undetectable		 2qwxA-4by6A:
14.44
2qwxB-4by6A:
14.44
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 PHE A 674
ILE A 681
PHE A 583
TRP A 494
 None
 0.89A 2qwxA-4c4aA:
undetectable
2qwxB-4c4aA:
undetectable		 2qwxA-4c4aA:
15.85
2qwxB-4c4aA:
15.85
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.
4doh INTERLEUKIN-20

(Homo sapiens) 		PF00726
(IL10) 		4 PHE A  95
ILE A 109
PHE A 149
GLY A 163
 None
 0.96A 2qwxA-4dohA:
undetectable
2qwxB-4dohA:
undetectable		 2qwxA-4dohA:
21.46
2qwxB-4dohA:
21.46
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.
4e1o HISTIDINE
DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 PHE A 301
PHE A 299
PHE A 133
GLY A 128
 None
 0.96A 2qwxA-4e1oA:
undetectable
2qwxB-4e1oA:
undetectable		 2qwxA-4e1oA:
18.96
2qwxB-4e1oA:
18.96
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.
4e4r PHOSPHATE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF01515
(PTA_PTB) 		4 PHE A 154
ILE A 163
GLY A 151
ILE A 181
 None
None
None
EDO  A 502 (-4.7A)
 0.98A 2qwxA-4e4rA:
undetectable
2qwxB-4e4rA:
2.2		 2qwxA-4e4rA:
20.94
2qwxB-4e4rA:
20.94
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1

(Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C) 		4 PHE A 533
ILE A 749
PHE A 743
GLY A 563
 None
 0.98A 2qwxA-4e4wA:
undetectable
2qwxB-4e4wA:
undetectable		 2qwxA-4e4wA:
20.47
2qwxB-4e4wA:
20.47
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 PHE A 191
PHE A 192
TRP A 209
GLY A 146
 None
 0.88A 2qwxA-4gl3A:
undetectable
2qwxB-4gl3A:
undetectable		 2qwxA-4gl3A:
18.31
2qwxB-4gl3A:
18.31
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.
4kq7 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF11175
(DUF2961) 		4 PHE A 335
ILE A 261
PHE A 342
GLY A 348
 None
 0.92A 2qwxA-4kq7A:
undetectable
2qwxB-4kq7A:
undetectable		 2qwxA-4kq7A:
19.89
2qwxB-4kq7A:
19.89
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.
4l63 ECXA

(Escherichia
coli) 		PF16313
(DUF4953) 		4 PHE A 112
ILE A 177
GLY A 182
ILE A 217
 None
 0.98A 2qwxA-4l63A:
2.2
2qwxB-4l63A:
undetectable		 2qwxA-4l63A:
21.91
2qwxB-4l63A:
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 ILE A 409
GLY A 404
MET A 421
ILE A 429
 None
 0.83A 2qwxA-4lxrA:
undetectable
2qwxB-4lxrA:
undetectable		 2qwxA-4lxrA:
14.30
2qwxB-4lxrA:
14.30
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.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		4 TRP A 776
PHE A 785
GLY A 807
ILE A 430
 None
 0.97A 2qwxA-4n75A:
undetectable
2qwxB-4n75A:
undetectable		 2qwxA-4n75A:
20.10
2qwxB-4n75A:
20.10
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.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 4 ILE E 254
TRP E 307
PHE E  98
GLY E 275
 None
None
PLP  E 501 (-4.7A)
None
 0.92A 2qwxA-4obuE:
undetectable
2qwxB-4obuE:
undetectable		 2qwxA-4obuE:
20.21
2qwxB-4obuE:
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.
4q6g PYRROLYSINE--TRNA
LIGASE

(Methanosarcina
mazei) 		PF01409
(tRNA-synt_2d) 		4 PHE A 306
ILE A 413
PHE A 348
GLY A 403
 ALY  A 508 ( 4.8A)
EDO  A 506 ( 4.7A)
ALY  A 508 (-4.9A)
None
 0.88A 2qwxA-4q6gA:
undetectable
2qwxB-4q6gA:
undetectable		 2qwxA-4q6gA:
22.14
2qwxB-4q6gA:
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.
4tqx SORTASE

(Streptococcus
mutans) 		PF04203
(Sortase) 		4 PHE A 152
ILE A 103
PHE A 108
GLY A  95
 None
 0.92A 2qwxA-4tqxA:
undetectable
2qwxB-4tqxA:
undetectable		 2qwxA-4tqxA:
20.32
2qwxB-4tqxA:
20.32
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.
4y21 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		4 PHE A 281
ILE A 284
GLY A 296
ILE A 294
 None
 0.81A 2qwxA-4y21A:
undetectable
2qwxB-4y21A:
undetectable		 2qwxA-4y21A:
17.75
2qwxB-4y21A:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yii UBIQUITIN-CONJUGATIN
G ENZYME E2 C

(Homo sapiens) 		PF00179
(UQ_con) 		4 ILE U 131
PHE U  85
GLY U  64
ILE U  66
 None
 0.97A 2qwxA-4yiiU:
undetectable
2qwxB-4yiiU:
undetectable		 2qwxA-4yiiU:
21.97
2qwxB-4yiiU:
21.97
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.
4ywz SENSOR PROTEIN
KINASE WALK

(Staphylococcus
aureus) 		no annotation 4 PHE A  15
ILE A  19
GLY A  60
ILE A  62
 None
 0.90A 2qwxA-4ywzA:
undetectable
2qwxB-4ywzA:
undetectable		 2qwxA-4ywzA:
19.48
2qwxB-4ywzA:
19.48
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.
5a2p SYNTENIN-1

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 ILE A 271
GLY A 233
MET A 203
ILE A 223
 None
 0.81A 2qwxA-5a2pA:
undetectable
2qwxB-5a2pA:
undetectable		 2qwxA-5a2pA:
19.56
2qwxB-5a2pA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ILE A 832
PHE A 501
PHE A 467
ILE A 824
 None
 0.81A 2qwxA-5a55A:
undetectable
2qwxB-5a55A:
1.8		 2qwxA-5a55A:
12.08
2qwxB-5a55A:
12.08
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.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 ILE A 439
PHE A 616
GLY A 532
ILE A 474
 None
 0.94A 2qwxA-5clwA:
undetectable
2qwxB-5clwA:
undetectable		 2qwxA-5clwA:
15.84
2qwxB-5clwA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 ILE A 532
PHE A 536
GLY A 507
ILE A 509
 None
 0.90A 2qwxA-5cslA:
2.4
2qwxB-5cslA:
undetectable		 2qwxA-5cslA:
7.65
2qwxB-5cslA:
7.65
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.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 PHE A  35
PHE A  31
GLY A  22
ILE A  53
 None
 0.92A 2qwxA-5dgtA:
2.8
2qwxB-5dgtA:
2.3		 2qwxA-5dgtA:
18.09
2qwxB-5dgtA:
18.09
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.
5dqq TWO PORE CALCIUM
CHANNEL PROTEIN 1

(Arabidopsis
thaliana) 		PF00520
(Ion_trans) 		4 PHE A 368
ILE A 348
PHE A 372
ILE A 334
 None
 0.98A 2qwxA-5dqqA:
undetectable
2qwxB-5dqqA:
undetectable		 2qwxA-5dqqA:
15.33
2qwxB-5dqqA:
15.33
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.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00144
(Beta-lactamase) 		4 PHE B  39
ILE B 231
GLY B  35
ILE B 238
 EDO  B 401 ( 4.6A)
None
MLY  B  36 ( 2.4A)
None
 0.95A 2qwxA-5eviB:
undetectable
2qwxB-5eviB:
undetectable		 2qwxA-5eviB:
21.20
2qwxB-5eviB:
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.
5fre EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF02973
(Sialidase) 		4 ILE A  35
PHE A 136
GLY A  51
ILE A 148
 None
 0.76A 2qwxA-5freA:
undetectable
2qwxB-5freA:
undetectable		 2qwxA-5freA:
22.32
2qwxB-5freA:
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.
5g1d SYNTENIN-1

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 ILE A 271
GLY A 233
MET A 203
ILE A 223
 None
 0.94A 2qwxA-5g1dA:
undetectable
2qwxB-5g1dA:
undetectable		 2qwxA-5g1dA:
20.92
2qwxB-5g1dA:
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 ILE Y  92
PHE Y  23
GLY Y  71
ILE Y  73
 None
 0.93A 2qwxA-5gaiY:
undetectable
2qwxB-5gaiY:
undetectable		 2qwxA-5gaiY:
14.84
2qwxB-5gaiY:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A 811
PHE A 807
PHE A 711
MET A 655
 None
 0.99A 2qwxA-5hpkA:
undetectable
2qwxB-5hpkA:
undetectable		 2qwxA-5hpkA:
19.53
2qwxB-5hpkA:
19.53
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.
5mch CELLOBIOHYDROLASE
CHBI

(Daphnia pulex) 		PF00840
(Glyco_hydro_7) 		4 ILE A  35
PHE A 151
GLY A 453
MET A 398
 None
 0.94A 2qwxA-5mchA:
undetectable
2qwxB-5mchA:
undetectable		 2qwxA-5mchA:
18.10
2qwxB-5mchA:
18.10
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 ILE A 428
PHE A 809
GLY A 331
ILE A 327
 None
 0.85A 2qwxA-5mtzA:
undetectable
2qwxB-5mtzA:
undetectable		 2qwxA-5mtzA:
12.91
2qwxB-5mtzA:
12.91
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 4 PHE A 422
GLY A 396
MET A 354
ILE A 330
 None
 0.96A 2qwxA-5n6vA:
undetectable
2qwxB-5n6vA:
undetectable		 2qwxA-5n6vA:
17.27
2qwxB-5n6vA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nck N-ACETYLMANNOSAMINE
KINASE

(Fusobacterium
nucleatum) 		PF00480
(ROK) 		4 PHE A 226
ILE A 222
GLY A 138
ILE A 136
 None
 0.79A 2qwxA-5nckA:
undetectable
2qwxB-5nckA:
undetectable		 2qwxA-5nckA:
20.54
2qwxB-5nckA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ode GLL2934 PROTEIN

(Gloeobacter
violaceus) 		no annotation 4 PHE A 232
ILE A 217
MET A 227
ILE A 245
 None
 0.97A 2qwxA-5odeA:
undetectable
2qwxB-5odeA:
undetectable		 2qwxA-5odeA:
24.36
2qwxB-5odeA:
24.36
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.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		4 PHE A  37
PHE A 132
GLY A  61
ILE A 206
 None
 0.97A 2qwxA-5u2nA:
undetectable
2qwxB-5u2nA:
undetectable		 2qwxA-5u2nA:
19.21
2qwxB-5u2nA:
19.21
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.
5uc5 CHS2 CHALCONE
SYNTHASE

(Malus domestica) 		no annotation 4 PHE A 265
ILE A 254
PHE A 215
ILE A 275
 None
 0.93A 2qwxA-5uc5A:
undetectable
2qwxB-5uc5A:
undetectable		 2qwxA-5uc5A:
20.10
2qwxB-5uc5A:
20.10
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 273
ILE A 269
PHE A 292
GLY A 120
 None
 0.91A 2qwxA-5vpuA:
4.4
2qwxB-5vpuA:
4.5		 2qwxA-5vpuA:
18.57
2qwxB-5vpuA:
18.57
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.
5xg8 GALACTOSIDE-BINDING
SOLUBLE LECTIN 13

(Homo sapiens) 		no annotation 4 ILE A  93
GLY A 111
MET A  64
ILE A 109
 None
 0.93A 2qwxA-5xg8A:
undetectable
2qwxB-5xg8A:
undetectable		 2qwxA-5xg8A:
16.59
2qwxB-5xg8A:
16.59
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.
5zut PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		no annotation 4 ILE A 160
PHE A 237
PHE A 239
ILE A 182
 None
 0.86A 2qwxA-5zutA:
undetectable
2qwxB-5zutA:
undetectable		 2qwxA-5zutA:
16.14
2qwxB-5zutA:
16.14
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.
6bcq TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4

(Mus musculus) 		no annotation 4 PHE B 779
ILE B 905
PHE B1065
TRP B 680
 None
 0.97A 2qwxA-6bcqB:
2.3
2qwxB-6bcqB:
3.4		 2qwxA-6bcqB:
13.85
2qwxB-6bcqB:
13.85
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 PHE A2532
PHE A2453
TRP A2465
GLY A2423
 None
 0.79A 2qwxA-6fb3A:
undetectable
2qwxB-6fb3A:
undetectable		 2qwxA-6fb3A:
19.47
2qwxB-6fb3A:
19.47