SIMILAR PATTERNS OF AMINO ACIDS FOR 4O8F_B_BRLB501

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.
1b0z PROTEIN
(PHOSPHOGLUCOSE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00342
(PGI) 		5 LEU A 272
VAL A 326
PHE A 395
MET A 391
LEU A 282
 None
 1.49A 4o8fB-1b0zA:
0.0		 4o8fB-1b0zA:
22.80
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.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU B  38
VAL B  29
PHE B 168
LEU B 146
LEU B 318
 None
 1.48A 4o8fB-1htrB:
0.0		 4o8fB-1htrB:
21.70
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.
1jfr LIPASE

(Streptomyces
exfoliatus) 		PF03403
(PAF-AH_p_II) 		5 SER A 225
LEU A  77
VAL A  84
MET A 128
LEU A 241
 None
 1.41A 4o8fB-1jfrA:
0.0		 4o8fB-1jfrA:
20.27
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.
1jy1 TYROSYL-DNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF06087
(Tyr-DNA_phospho) 		5 HIS A 478
LEU A 576
VAL A 555
MET A 498
LEU A 437
 None
 1.46A 4o8fB-1jy1A:
0.0		 4o8fB-1jy1A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 SER A 169
VAL A 331
PHE A 158
LEU A 203
TYR A 194
 None
 0.98A 4o8fB-1nxkA:
0.0		 4o8fB-1nxkA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 CYH A 401
SER A 403
MET A 317
LEU A 368
LEU A 357
 None
 1.11A 4o8fB-1w78A:
undetectable		 4o8fB-1w78A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wmr ISOPULLULANASE

(Aspergillus
niger) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		5 LEU A 209
VAL A 217
HIS A 231
LEU A 296
TYR A 285
 None
 1.31A 4o8fB-1wmrA:
0.0		 4o8fB-1wmrA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwm PSATHYRELLA VELUTINA
LECTIN PVL

(Lacrymaria
velutina) 		PF13517
(VCBS) 		5 CYH A 285
SER A 287
LEU A   9
PHE A 300
LEU A 289
 None
 1.49A 4o8fB-2bwmA:
0.0		 4o8fB-2bwmA:
20.09
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.
2gsr CLASS PI GST
GLUTATHIONE
S-TRANSFERASE

(Sus scrofa) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 HIS A 160
LEU A 153
VAL A 141
LEU A 120
TYR A 116
 None
 1.37A 4o8fB-2gsrA:
0.0		 4o8fB-2gsrA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iew INOSITOL
POLYPHOSPHATE
MULTIKINASE

(Saccharomyces
cerevisiae) 		PF03770
(IPK) 		5 SER A 322
VAL A 341
PHE A 326
LEU A 117
LEU A 120
 None
 1.43A 4o8fB-2iewA:
undetectable		 4o8fB-2iewA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 LEU A  66
VAL A   3
MET A   1
LEU A 310
LEU A 315
 None
 1.30A 4o8fB-2ip4A:
undetectable		 4o8fB-2ip4A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		5 SER A  31
LEU A 180
VAL A 175
PHE A 114
HIS A 187
 TTP  A1210 (-3.3A)
None
None
TTP  A1210 (-3.5A)
None
 0.88A 4o8fB-2jcsA:
undetectable		 4o8fB-2jcsA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		5 HIS A 561
LEU A 566
VAL A 330
LEU A 511
LEU A 287
 None
 1.31A 4o8fB-2nyfA:
undetectable		 4o8fB-2nyfA:
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.
2ob1 LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF04072
(LCM) 		5 VAL A  73
PHE A 243
MET A 317
LEU A 262
LEU A 251
 None
 1.43A 4o8fB-2ob1A:
undetectable		 4o8fB-2ob1A:
23.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 CYH A 276
LEU A 321
MET A 355
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.9A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.76A 4o8fB-2p54A:
34.5		 4o8fB-2p54A:
61.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 276
MET A 355
HIS A 440
LEU A 456
TYR A 464
 735  A 469 (-2.9A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 ( 4.8A)
735  A 469 (-4.6A)
 1.49A 4o8fB-2p54A:
34.5		 4o8fB-2p54A:
61.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 CYH A 276
SER A 280
LEU A 321
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.9A)
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.90A 4o8fB-2p54A:
34.5		 4o8fB-2p54A:
61.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 HIS A 440
LEU A 321
VAL A 324
LEU A 460
TYR A 464
 735  A 469 (-4.0A)
735  A 469 ( 4.3A)
None
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.45A 4o8fB-2p54A:
34.5		 4o8fB-2p54A:
61.57
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.
2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 SER A 196
LEU A  44
VAL A 260
PHE A 185
HIS A 188
 OGA  A5001 (-2.7A)
None
None
OGA  A5001 (-3.8A)
FE2  A3001 ( 3.5A)
 1.22A 4o8fB-2pxjA:
undetectable		 4o8fB-2pxjA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d) 		5 HIS A 172
LEU A 218
VAL A 220
MET A 181
LEU A 148
 None
GAX  A 352 ( 4.3A)
None
GAX  A 352 ( 4.8A)
None
 1.34A 4o8fB-2rhqA:
undetectable		 4o8fB-2rhqA:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 HIS A 401
LEU A 168
VAL A 231
MET A   9
TYR A 277
 None
 1.39A 4o8fB-2vz9A:
undetectable		 4o8fB-2vz9A:
7.81
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.
2whn PILUS ASSEMBLY
PROTEIN PILC

(Thermus
thermophilus) 		PF00482
(T2SSF) 		5 LEU A  88
VAL A 111
MET A 115
LEU A 151
LEU A  67
 None
 1.36A 4o8fB-2whnA:
undetectable		 4o8fB-2whnA:
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.
2yk6 CMP-N-ACETYLNEURAMIN
ATE-BETA-GALACTOSAMI
DE-ALPHA-2,3-SIALYLT
RANSFERASE

(Neisseria
meningitidis) 		PF07922
(Glyco_transf_52) 		5 SER A 256
LEU A 253
VAL A 290
LEU A 344
TYR A 348
 None
 1.43A 4o8fB-2yk6A:
undetectable		 4o8fB-2yk6A:
23.31
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.
3aat ASPARTATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 CYH A 270
SER A 254
LEU A 112
LEU A 250
LEU A  87
 None
 1.39A 4o8fB-3aatA:
undetectable		 4o8fB-3aatA:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 CYH A 285
SER A 289
HIS A 323
LEU A 330
VAL A 339
MET A 348
MET A 364
HIS A 449
LEU A 453
LEU A 469
TYR A 473
 MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
MC5  A   1 (-4.6A)
MC5  A   1 ( 4.0A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.2A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.61A 4o8fB-3b0qA:
21.7		 4o8fB-3b0qA:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 CYH A 285
SER A 289
LEU A 330
VAL A 339
PHE A 363
MET A 364
HIS A 449
 MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 (-4.4A)
MC5  A   1 (-4.6A)
None
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
 0.73A 4o8fB-3b0qA:
21.7		 4o8fB-3b0qA:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 SER A 289
HIS A 323
PHE A 282
HIS A 449
TYR A 473
 MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.9A)
 1.47A 4o8fB-3b0qA:
21.7		 4o8fB-3b0qA:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 CYH A 285
HIS A 323
LEU A 330
HIS A 449
LEU A 469
TYR A 473
 L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.62A 4o8fB-3d5fA:
33.6		 4o8fB-3d5fA:
62.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 HIS A 323
LEU A 330
VAL A 334
HIS A 449
TYR A 473
 L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
None
L41  A 501 (-3.9A)
L41  A 501 (-4.8A)
 1.13A 4o8fB-3d5fA:
33.6		 4o8fB-3d5fA:
62.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 CYH D 285
LEU D 330
VAL D 339
MET D 348
MET D 364
HIS D 449
 PLB  D 701 (-3.2A)
PLB  D 701 ( 4.1A)
None
PLB  D 701 ( 4.7A)
PLB  D 701 ( 4.8A)
None
 0.81A 4o8fB-3dzuD:
20.5		 4o8fB-3dzuD:
94.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 LEU D 330
VAL D 339
MET D 348
MET D 364
HIS D 449
LEU D 469
TYR D 473
 PLB  D 701 ( 4.1A)
None
PLB  D 701 ( 4.7A)
PLB  D 701 ( 4.8A)
None
None
None
 0.72A 4o8fB-3dzuD:
20.5		 4o8fB-3dzuD:
94.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 SER D 289
LEU D 330
HIS D 449
LEU D 469
TYR D 473
 PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
None
None
None
 0.94A 4o8fB-3dzuD:
20.5		 4o8fB-3dzuD:
94.08
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.
3etc AMP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 CYH A 257
HIS A 230
VAL A 274
LEU A 206
TYR A 226
 None
None
EPE  A 996 (-3.8A)
None
None
 1.25A 4o8fB-3etcA:
undetectable		 4o8fB-3etcA:
20.68
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.
3ez0 UNCHARACTERIZED
PROTEIN WITH
FERRITIN-LIKE FOLD

(Arthrobacter
sp. FB24) 		PF13794
(MiaE_2) 		5 SER A 180
LEU A 189
VAL A  15
PHE A 114
LEU A 209
 None
None
None
UNL  A 500 ( 4.0A)
None
 1.46A 4o8fB-3ez0A:
2.2		 4o8fB-3ez0A:
23.84
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.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 5 HIS A 161
LEU A 248
MET A 364
PHE A 374
HIS A  15
 None
 1.45A 4o8fB-3hj4A:
undetectable		 4o8fB-3hj4A:
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 HIS A 386
VAL A 300
MET A 283
LEU A 404
TYR B 184
 None
 1.39A 4o8fB-3hrdA:
undetectable		 4o8fB-3hrdA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jbh MYOSIN 2 HEAVY CHAIN
STRIATED MUSCLE

(Aphonopelma) 		PF00063
(Myosin_head)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 HIS A 355
LEU A 385
VAL A 615
MET A 428
LEU A 286
 None
 1.43A 4o8fB-3jbhA:
undetectable		 4o8fB-3jbhA:
8.81
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.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		5 HIS A 155
VAL A 182
MET A 289
MET A 205
HIS A 217
 FE  A 400 ( 3.5A)
None
HPX  A 406 ( 4.6A)
HPX  A 406 (-3.5A)
FE  A 400 ( 3.4A)
 1.45A 4o8fB-3lm4A:
undetectable		 4o8fB-3lm4A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		5 SER A 254
HIS A 155
VAL A 182
MET A 289
HIS A 217
 HPX  A 406 ( 4.5A)
FE  A 400 ( 3.5A)
None
HPX  A 406 ( 4.6A)
FE  A 400 ( 3.4A)
 1.41A 4o8fB-3lm4A:
undetectable		 4o8fB-3lm4A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m3m GLUTATHIONE
S-TRANSFERASE

(Pseudomonas
protegens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 LEU A  81
VAL A  91
LEU A  56
LEU A  25
TYR A   2
 None
 1.49A 4o8fB-3m3mA:
undetectable		 4o8fB-3m3mA:
22.41
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.
3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 SER A   6
LEU A  37
VAL A  41
HIS A  53
LEU A 187
 None
 1.44A 4o8fB-3peaA:
undetectable		 4o8fB-3peaA:
23.36
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.
3t7b ACETYLGLUTAMATE
KINASE

(Yersinia pestis) 		PF00696
(AA_kinase) 		5 SER A 146
LEU A 167
VAL A 132
LEU A  13
LEU A  79
 GLU  A 258 ( 4.0A)
None
None
None
None
 1.44A 4o8fB-3t7bA:
undetectable		 4o8fB-3t7bA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w04 DWARF 88 ESTERASE

(Oryza sativa) 		PF12697
(Abhydrolase_6) 		5 SER A 149
LEU A 167
VAL A 256
LEU A 103
TYR A 101
 None
 1.09A 4o8fB-3w04A:
undetectable		 4o8fB-3w04A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3won DIPEPTIDYL
AMINOPEPTIDASE BII

(Pseudoxanthomonas
mexicana) 		PF10459
(Peptidase_S46) 		5 SER A  73
LEU A  67
VAL A 196
LEU A 701
LEU A 668
 None
 1.31A 4o8fB-3wonA:
undetectable		 4o8fB-3wonA:
17.41
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.
4ckk DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV) 		5 HIS A 185
LEU A 187
VAL A 509
LEU A 347
TYR A 233
 None
 1.50A 4o8fB-4ckkA:
1.3		 4o8fB-4ckkA:
21.31
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 SER A 780
VAL A 823
MET A 801
LEU A 715
TYR A 711
 None
 1.27A 4o8fB-4fgvA:
undetectable		 4o8fB-4fgvA:
12.14
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.
4gyi RIO2 KINASE

(Chaetomium
thermophilum) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		5 LEU A  86
VAL A  98
MET A   8
LEU A  57
LEU A  76
 None
 1.48A 4o8fB-4gyiA:
0.7		 4o8fB-4gyiA:
22.64
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.
4h05 AMINOGLYCOSIDE-O-PHO
SPHOTRANSFERASE VIII

(Streptomyces
rimosus) 		PF01636
(APH) 		5 LEU A  59
VAL A 205
LEU A  32
LEU A   8
TYR A  12
 None
 1.43A 4o8fB-4h05A:
undetectable		 4o8fB-4h05A:
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.
4irt UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15892
(BNR_4) 		5 CYH A 117
SER A 106
HIS A 109
LEU A  63
LEU A 114
 None
 1.20A 4o8fB-4irtA:
undetectable		 4o8fB-4irtA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lun NONSENSE-MEDIATED
MRNA DECAY PROTEIN 2

(Saccharomyces
cerevisiae) 		PF02854
(MIF4G) 		5 SER U 185
LEU U 231
PHE U 147
LEU U 113
LEU U 172
 None
CL  U 401 ( 3.9A)
None
None
None
 1.35A 4o8fB-4lunU:
undetectable		 4o8fB-4lunU:
24.85
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.
4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 SER A 311
HIS A 178
LEU A 175
MET A 232
LEU A 222
 None
 1.48A 4o8fB-4nhdA:
undetectable		 4o8fB-4nhdA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ogz PUTATIVE
ALPHA-GALACTOSIDASE/
MELIBIASE

(Bacteroides
fragilis) 		PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		5 CYH A 490
HIS A 370
LEU A 403
VAL A 468
LEU A 323
 None
 1.42A 4o8fB-4ogzA:
undetectable		 4o8fB-4ogzA:
22.50
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.
4ogz PUTATIVE
ALPHA-GALACTOSIDASE/
MELIBIASE

(Bacteroides
fragilis) 		PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		5 CYH A 490
LEU A 403
VAL A 468
MET A 376
LEU A 323
 None
 1.49A 4o8fB-4ogzA:
undetectable		 4o8fB-4ogzA:
22.50
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		5 LEU A 257
VAL A 245
LEU A 273
LEU A 317
TYR A 311
 None
 1.32A 4o8fB-4ojxA:
undetectable		 4o8fB-4ojxA:
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.
4psu ALPHA/BETA HYDROLASE

(Rhodopseudomonas
palustris) 		PF12697
(Abhydrolase_6) 		5 SER A  55
HIS A 114
LEU A  45
VAL A  69
LEU A 272
 None
 1.27A 4o8fB-4psuA:
undetectable		 4o8fB-4psuA:
22.57
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.
4r8f VACUOLAR
AMINOPEPTIDASE 1

(Saccharomyces
cerevisiae) 		PF02127
(Peptidase_M18) 		5 SER A 312
LEU A 328
VAL A 326
PHE A 286
LEU A 309
 None
 1.39A 4o8fB-4r8fA:
undetectable		 4o8fB-4r8fA:
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.
4txa ROQUIN-1

(Mus musculus) 		PF13445
(zf-RING_UBOX) 		5 HIS A 389
LEU A 353
LEU A 129
LEU A 106
TYR A 109
 None
 1.46A 4o8fB-4txaA:
undetectable		 4o8fB-4txaA:
21.28
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.
4ueg GLYCOGENIN-2

(Homo sapiens) 		PF01501
(Glyco_transf_8) 		5 LEU A  94
VAL A   9
HIS A 148
LEU A 152
TYR A  71
 None
 1.05A 4o8fB-4uegA:
undetectable		 4o8fB-4uegA:
20.77
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.
4ueg GLYCOGENIN-2

(Homo sapiens) 		PF01501
(Glyco_transf_8) 		5 LEU A  94
VAL A  38
HIS A 148
LEU A 152
TYR A  71
 None
 1.10A 4o8fB-4uegA:
undetectable		 4o8fB-4uegA:
20.77
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.
5efx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 2

(Homo sapiens) 		PF00169
(PH) 		5 LEU A 442
MET A 449
PHE A 463
LEU A 581
LEU A 523
 None
 1.50A 4o8fB-5efxA:
undetectable		 4o8fB-5efxA:
18.88
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		5 LEU A 427
VAL A 421
PHE A 409
LEU A 547
LEU A 316
 None
 1.45A 4o8fB-5fnoA:
undetectable		 4o8fB-5fnoA:
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 5 LEU A 536
PHE A 549
MET A 546
LEU A 510
LEU A 566
 None
 1.40A 4o8fB-5hdtA:
undetectable		 4o8fB-5hdtA:
15.31
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.
5it9 RIBOSOMAL PROTEIN
RACK1

(Kluyveromyces
lactis) 		PF01092
(Ribosomal_S6e) 		5 LEU g  14
VAL g 319
LEU g  95
LEU g  43
TYR g  62
 None
 1.28A 4o8fB-5it9g:
undetectable		 4o8fB-5it9g:
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 HIS B 401
LEU B 168
VAL B 231
MET B   9
TYR B 277
 None
 1.37A 4o8fB-5my0B:
1.2		 4o8fB-5my0B:
17.65
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.
5nh1 GASDERMIN-D

(Homo sapiens) 		PF04598
(Gasdermin) 		5 SER A 472
LEU A 441
HIS A 386
LEU A 326
LEU A 374
 None
 1.42A 4o8fB-5nh1A:
undetectable		 4o8fB-5nh1A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nj8 ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR

(Homo sapiens) 		PF00010
(HLH)
PF00989
(PAS) 		5 CYH B 308
VAL B 196
MET B 267
LEU B 221
LEU B 337
 None
 1.32A 4o8fB-5nj8B:
undetectable		 4o8fB-5nj8B:
23.96
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 CYH A3712
LEU A3829
VAL A3703
LEU A3863
LEU A3840
 None
 1.08A 4o8fB-5nugA:
undetectable		 4o8fB-5nugA:
4.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tta PUTATIVE EXPORTED
PROTEIN

(Clostridioides
difficile) 		no annotation 5 CYH A 105
LEU A 216
VAL A 229
LEU A  90
TYR A 101
 None
 1.42A 4o8fB-5ttaA:
undetectable		 4o8fB-5ttaA:
21.69
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.
5uc2 DOMAIN OF UNKNOWN
FUNCTION DUF1849

(Brucella
abortus) 		PF08904
(DUF1849) 		5 LEU A  33
VAL A  31
LEU A 263
LEU A 250
TYR A  40
 None
None
None
None
EDO  A 303 (-4.9A)
 1.38A 4o8fB-5uc2A:
undetectable		 4o8fB-5uc2A:
22.73
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.
5ue8 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF00130
(C1_1)
PF00168
(C2)
PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		5 CYH A1016
SER A 962
VAL A1099
MET A1100
LEU A 979
 None
 1.31A 4o8fB-5ue8A:
undetectable		 4o8fB-5ue8A:
16.16
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.
5vbb RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00849
(PseudoU_synth_2) 		5 CYH A  63
LEU A 213
VAL A  95
PHE A  18
LEU A  78
 None
 1.45A 4o8fB-5vbbA:
undetectable		 4o8fB-5vbbA:
21.07
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.
6ap6 PROBABLE
STRIGOLACTONE
ESTERASE DAD2

(Petunia x
hybrida) 		no annotation 5 SER A  98
LEU A 116
VAL A 205
LEU A  52
TYR A  50
 None
 1.12A 4o8fB-6ap6A:
undetectable		 4o8fB-6ap6A:
11.50
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 5 SER A1098
LEU A1039
VAL A1055
MET A1075
LEU A1091
 None
 1.43A 4o8fB-6en4A:
undetectable		 4o8fB-6en4A:
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.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A  52
GLY A  28
ILE A 123
LEU A  88
 None
NAD  A 352 (-3.6A)
None
None
 0.77A 4o8fB-1a5zA:
0.3		 4o8fB-1a5zA:
23.84
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.
1bpo PROTEIN (CLATHRIN)

(Rattus
norvegicus) 		PF01394
(Clathrin_propel)
PF09268
(Clathrin-link)
PF13838
(Clathrin_H_link) 		4 ILE A  38
PHE A  37
ILE A  20
LEU A  13
 None
 0.78A 4o8fB-1bpoA:
undetectable		 4o8fB-1bpoA:
21.44
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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		4 ILE A 334
GLY A 336
ILE A 453
ILE A 466
 None
None
CLL  A 801 (-3.9A)
None
 0.76A 4o8fB-1cleA:
0.0		 4o8fB-1cleA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cqi PROTEIN
(SUCCINYL-COA
SYNTHETASE BETA
CHAIN)

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		4 ILE B 180
PHE B 181
GLY B 183
LEU B 201
 None
 0.72A 4o8fB-1cqiB:
0.0		 4o8fB-1cqiB:
20.80
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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 ILE A 279
ILE A 221
ILE A 149
LEU A 283
 None
 0.75A 4o8fB-1cqjA:
undetectable		 4o8fB-1cqjA:
18.93
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.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		4 ILE A 334
GLY A 336
ILE A 453
ILE A 466
 None
 0.70A 4o8fB-1crlA:
0.0		 4o8fB-1crlA:
20.84
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.
1e8a S100A12

(Homo sapiens) 		PF01023
(S_100) 		4 ILE A  56
PHE A  57
GLY A  59
ILE A  79
 None
 0.78A 4o8fB-1e8aA:
undetectable		 4o8fB-1e8aA:
15.55
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.
1h29 HIGH-MOLECULAR-WEIGH
T CYTOCHROME C

(Desulfovibrio
vulgaris) 		PF02085
(Cytochrom_CIII) 		4 PHE A 368
GLY A 521
ILE A 528
LEU A 456
 HEC  A1114 (-4.9A)
None
HEC  A1115 ( 4.5A)
HEC  A1111 ( 4.3A)
 0.69A 4o8fB-1h29A:
0.0		 4o8fB-1h29A:
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.
1hyh L-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Weissella
confusa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A  52
PHE A  51
GLY A  28
LEU A  87
 None
None
NAD  A 330 (-3.6A)
None
 0.58A 4o8fB-1hyhA:
undetectable		 4o8fB-1hyhA:
22.13
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.
1j31 HYPOTHETICAL PROTEIN
PH0642

(Pyrococcus
horikoshii) 		PF00795
(CN_hydrolase) 		4 ILE A 165
GLY A 142
ILE A 136
LEU A 237
 None
 0.76A 4o8fB-1j31A:
undetectable		 4o8fB-1j31A:
23.66
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.
1koe ENDOSTATIN

(Mus musculus) 		PF06482
(Endostatin) 		4 ILE A 202
ILE A 301
ILE A 305
LEU A 217
 None
 0.70A 4o8fB-1koeA:
undetectable		 4o8fB-1koeA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		4 GLY A 276
ILE A 208
ILE A 177
LEU A 192
 None
None
None
10A  A1901 (-3.7A)
 0.74A 4o8fB-1kphA:
undetectable		 4o8fB-1kphA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ldi GLYCEROL UPTAKE
FACILITATOR PROTEIN

(Escherichia
coli) 		PF00230
(MIP) 		4 ILE A  90
PHE A  89
ILE A 163
ILE A 241
 None
 0.70A 4o8fB-1ldiA:
undetectable		 4o8fB-1ldiA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1moz ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		4 ILE A 167
GLY A 170
ILE A  90
LEU A  38
 None
 0.78A 4o8fB-1mozA:
undetectable		 4o8fB-1mozA:
23.34
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.
1nr0 ACTIN INTERACTING
PROTEIN 1

(Caenorhabditis
elegans) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 ILE A 488
ILE A 434
ILE A 494
LEU A 506
 None
 0.75A 4o8fB-1nr0A:
undetectable		 4o8fB-1nr0A:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE

(Saccharomyces
cerevisiae) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ILE A 415
PHE A 414
GLY A 300
ILE A 139
 None
 0.75A 4o8fB-1pxtA:
undetectable		 4o8fB-1pxtA:
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.
1x4b HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEINS
A2/B1

(Homo sapiens) 		PF00076
(RRM_1) 		4 ILE A  32
PHE A  71
GLY A  34
ILE A  93
 None
 0.67A 4o8fB-1x4bA:
undetectable		 4o8fB-1x4bA:
19.35
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.
1xcf TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00290
(Trp_syntA) 		4 PHE A  19
GLY A  44
ILE A  37
LEU A   7
 None
 0.78A 4o8fB-1xcfA:
undetectable		 4o8fB-1xcfA:
23.84
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.
1xzq PROBABLE TRNA
MODIFICATION GTPASE
TRME

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		4 ILE A 374
PHE A 375
GLY A 378
LEU A 212
 None
 0.70A 4o8fB-1xzqA:
undetectable		 4o8fB-1xzqA:
23.38
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 ILE A 373
GLY A 375
ILE A 359
LEU A 442
 None
 0.75A 4o8fB-1z8lA:
undetectable		 4o8fB-1z8lA:
17.84
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.
2bwm PSATHYRELLA VELUTINA
LECTIN PVL

(Lacrymaria
velutina) 		PF13517
(VCBS) 		4 ILE A 352
GLY A 354
ILE A  38
ILE A 374
 None
None
None
GOL  A1410 ( 4.2A)
 0.77A 4o8fB-2bwmA:
undetectable		 4o8fB-2bwmA:
20.09
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.
2d2z CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 4

(Homo sapiens) 		PF13410
(GST_C_2) 		4 ILE A 121
PHE A 125
ILE A 217
LEU A 191
 None
 0.75A 4o8fB-2d2zA:
undetectable		 4o8fB-2d2zA:
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.
2dpl GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG] SUBUNIT B

(Pyrococcus
horikoshii) 		PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 ILE A 125
GLY A 127
ILE A 182
LEU A  48
 None
 0.72A 4o8fB-2dplA:
undetectable		 4o8fB-2dplA:
23.51
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.
2e55 URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF14681
(UPRTase) 		4 ILE A 198
GLY A 196
ILE A 158
LEU A  31
 None
 0.77A 4o8fB-2e55A:
undetectable		 4o8fB-2e55A:
22.34
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.
2gwn DIHYDROOROTASE

(Porphyromonas
gingivalis) 		PF01979
(Amidohydro_1) 		4 ILE A  28
PHE A  27
ILE A 371
LEU A 385
 None
 0.77A 4o8fB-2gwnA:
undetectable		 4o8fB-2gwnA:
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.
2ln7 LPXTG-SITE
TRANSPEPTIDASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF04203
(Sortase) 		4 ILE A  30
GLY A  44
ILE A 109
LEU A  84
 None
 0.78A 4o8fB-2ln7A:
undetectable		 4o8fB-2ln7A:
21.13
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.
2odh R.BCNI

(Brevibacillus
centrosporus) 		PF15515
(MvaI_BcnI) 		4 ILE A 188
ILE A 234
ILE A 153
LEU A 197
 None
PEG  A 240 ( 4.4A)
None
None
 0.59A 4o8fB-2odhA:
undetectable		 4o8fB-2odhA:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 ILE A 272
PHE A 273
ILE A 317
LEU A 344
 735  A 469 ( 4.2A)
735  A 469 (-3.7A)
735  A 469 ( 4.8A)
735  A 469 ( 4.2A)
 0.74A 4o8fB-2p54A:
34.5		 4o8fB-2p54A:
61.57
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A 108
GLY A 279
ILE A 274
LEU A 358
 None
 0.73A 4o8fB-2qgyA:
undetectable		 4o8fB-2qgyA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		4 ILE G 681
GLY G 684
ILE G 713
LEU G 703
 None
 0.63A 4o8fB-2uv8G:
undetectable		 4o8fB-2uv8G:
9.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A  81
ILE A  95
ILE A   7
LEU A 313
 None
 0.72A 4o8fB-2vqdA:
undetectable		 4o8fB-2vqdA:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A 281
GLY A 284
ILE A 326
ILE A 341
LEU A 353
 MC5  A   1 ( 4.8A)
MC5  A   1 ( 4.5A)
MC5  A   1 ( 4.9A)
MC5  A   1 (-4.5A)
MC5  A   1 (-4.7A)
 0.59A 4o8fB-3b0qA:
37.8		 4o8fB-3b0qA:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A 281
PHE A 282
GLY A 284
ILE A 341
LEU A 353
 MC5  A   1 ( 4.8A)
MC5  A   1 (-4.4A)
MC5  A   1 ( 4.5A)
MC5  A   1 (-4.5A)
MC5  A   1 (-4.7A)
 0.68A 4o8fB-3b0qA:
37.8		 4o8fB-3b0qA:
99.64
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.
3c5i CHOLINE KINASE

(Plasmodium
knowlesi) 		PF01633
(Choline_kinase) 		4 ILE A 131
GLY A 134
ILE A 248
ILE A 224
 None
 0.73A 4o8fB-3c5iA:
undetectable		 4o8fB-3c5iA:
21.88
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.
3cpr DIHYDRODIPICOLINATE
SYNTHETASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		4 ILE A 216
PHE A 215
GLY A 199
ILE A 189
 MCL  A 176 ( 3.7A)
None
MCL  A 176 ( 3.7A)
None
 0.68A 4o8fB-3cprA:
undetectable		 4o8fB-3cprA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		4 ILE A 277
PHE A 278
ILE A  55
LEU A 292
 None
 0.69A 4o8fB-3cuxA:
undetectable		 4o8fB-3cuxA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dlj BETA-ALA-HIS
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ILE A 168
PHE A 167
ILE A 442
ILE A 427
 None
 0.63A 4o8fB-3dljA:
undetectable		 4o8fB-3dljA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ds8 LIN2722 PROTEIN

(Listeria
innocua) 		PF06028
(DUF915) 		4 ILE A 249
GLY A 205
ILE A 162
LEU A 251
 None
 0.76A 4o8fB-3ds8A:
undetectable		 4o8fB-3ds8A:
23.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 ILE D 281
PHE D 282
GLY D 284
ILE D 326
ILE D 341
LEU D 353
 PLB  D 701 (-4.6A)
None
PLB  D 701 (-3.3A)
PLB  D 701 ( 4.5A)
PLB  D 701 (-3.6A)
None
 0.75A 4o8fB-3dzuD:
20.5		 4o8fB-3dzuD:
94.08
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.
3fi9 MALATE DEHYDROGENASE

(Porphyromonas
gingivalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A  11
GLY A  19
ILE A 243
LEU A  35
 None
 0.69A 4o8fB-3fi9A:
undetectable		 4o8fB-3fi9A:
20.60
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.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ILE A  49
GLY A  44
ILE A  38
ILE A  25
 None
 0.73A 4o8fB-3fk5A:
undetectable		 4o8fB-3fk5A:
22.13
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.
3gx8 MONOTHIOL
GLUTAREDOXIN-5,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00462
(Glutaredoxin) 		4 ILE A 120
GLY A 115
ILE A  42
LEU A  70
 None
 0.77A 4o8fB-3gx8A:
undetectable		 4o8fB-3gx8A:
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		4 ILE A  11
ILE A 194
ILE A 159
LEU A 285
 None
 0.75A 4o8fB-3jyfA:
undetectable		 4o8fB-3jyfA:
21.73
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.
3kxq TRIOSEPHOSPHATE
ISOMERASE

(Bartonella
henselae) 		PF00121
(TIM) 		4 ILE A  96
GLY A  67
ILE A  63
LEU A 233
 None
None
None
NO3  A 310 (-3.9A)
 0.73A 4o8fB-3kxqA:
undetectable		 4o8fB-3kxqA:
23.99
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.
3lso PUTATIVE MEMBRANE
ANCHORED PROTEIN

(Corynebacterium
diphtheriae) 		PF16640
(Big_3_5) 		4 GLY B 278
ILE B 272
ILE B 301
LEU B 478
 None
 0.75A 4o8fB-3lsoB:
undetectable		 4o8fB-3lsoB:
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		4 ILE A 366
PHE A 363
GLY A 197
ILE A 405
 None
 0.76A 4o8fB-3nv9A:
undetectable		 4o8fB-3nv9A:
22.54
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.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 228
GLY A 229
ILE A 237
LEU A 220
 None
 0.77A 4o8fB-3nyqA:
undetectable		 4o8fB-3nyqA:
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.
3o44 HEMOLYSIN

(Vibrio cholerae) 		PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec) 		4 ILE A 402
PHE A 258
ILE A 180
ILE A 589
 None
 0.74A 4o8fB-3o44A:
undetectable		 4o8fB-3o44A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3orq N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
SYNTHETASE

(Staphylococcus
aureus) 		PF02222
(ATP-grasp)
PF02826
(2-Hacid_dh_C) 		4 ILE A  15
ILE A 292
ILE A  95
LEU A  67
 None
 0.76A 4o8fB-3orqA:
undetectable		 4o8fB-3orqA:
21.71
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.
3p5u ACTINIDIN

(Actinidia
arguta) 		PF00112
(Peptidase_C1) 		4 ILE A 196
ILE A  16
ILE A 166
LEU A 137
 None
 0.78A 4o8fB-3p5uA:
undetectable		 4o8fB-3p5uA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pm8 CALCIUM-DEPENDENT
PROTEIN KINASE 2

(Plasmodium
falciparum) 		PF13499
(EF-hand_7) 		4 ILE A 378
PHE A 379
ILE A 402
LEU A 342
 None
 0.71A 4o8fB-3pm8A:
undetectable		 4o8fB-3pm8A:
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.
3qay ENDOLYSIN

(Clostridium
virus phiCD27) 		PF01520
(Amidase_3) 		4 ILE A  81
ILE A 178
ILE A 111
LEU A  79
 None
 0.75A 4o8fB-3qayA:
undetectable		 4o8fB-3qayA:
24.57
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.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		4 ILE A 128
GLY A 126
ILE A  70
LEU A 157
 None
 0.76A 4o8fB-3szbA:
undetectable		 4o8fB-3szbA:
23.01
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.
3u0i PROBABLE
FAD-BINDING,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Brucella
abortus) 		PF12900
(Pyridox_ox_2) 		4 ILE A 135
GLY A  43
ILE A 101
ILE A  15
 None
 0.65A 4o8fB-3u0iA:
undetectable		 4o8fB-3u0iA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 ILE A 705
GLY A 693
ILE A 384
LEU A 784
 None
 0.65A 4o8fB-3ujzA:
undetectable		 4o8fB-3ujzA:
16.84
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.
3uk6 RUVB-LIKE 2

(Homo sapiens) 		PF06068
(TIP49) 		4 ILE A 103
GLY A 105
ILE A 346
LEU A 296
 None
 0.73A 4o8fB-3uk6A:
undetectable		 4o8fB-3uk6A:
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 ILE A 318
PHE A 317
GLY A 296
ILE A 280
ILE A 345
 None
 0.72A 4o8fB-3v9fA:
undetectable		 4o8fB-3v9fA:
15.65
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.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 ILE A 242
GLY A 102
ILE A  74
ILE A  85
 None
 0.74A 4o8fB-3wa1A:
undetectable		 4o8fB-3wa1A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLY A 527
ILE A 509
ILE A 709
LEU A 686
 None
ACP  A 900 (-4.8A)
None
None
 0.78A 4o8fB-4ayxA:
1.4		 4o8fB-4ayxA:
20.60
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.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		4 ILE A 222
GLY A 239
ILE A 163
LEU A 249
 None
 0.71A 4o8fB-4bluA:
undetectable		 4o8fB-4bluA:
21.34
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.
4djm DRAB

(Escherichia
coli) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		4 ILE A  45
GLY A  27
ILE A  88
LEU A  78
 None
 0.67A 4o8fB-4djmA:
undetectable		 4o8fB-4djmA:
23.18
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.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ILE A 289
GLY A 256
ILE A 159
ILE A 251
 None
 0.75A 4o8fB-4e6eA:
undetectable		 4o8fB-4e6eA:
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.
4en8 HEMAGGLUTININ
COMPONENTS
HA-22/23/53

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 ILE B 602
PHE B 603
ILE B 468
LEU B 577
 None
 0.53A 4o8fB-4en8B:
undetectable		 4o8fB-4en8B:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		4 ILE A 415
GLY A 385
ILE A 316
ILE A 302
 None
 0.69A 4o8fB-4fwtA:
undetectable		 4o8fB-4fwtA:
12.00
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.
4h44 APOCYTOCHROME F
CYTOCHROME B6-F
COMPLEX SUBUNIT 6

(Nostoc sp. PCC
7120) 		PF01333
(Apocytochr_F_C)
PF05115
(PetL)
PF16639
(Apocytochr_F_N) 		4 ILE E  17
GLY E  20
ILE E  30
LEU C 267
 None
 0.74A 4o8fB-4h44E:
undetectable		 4o8fB-4h44E:
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 GLY A 409
ILE A  64
ILE A 404
LEU A 448
 None
 0.71A 4o8fB-4i7iA:
undetectable		 4o8fB-4i7iA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j4b PYLD

(Methanosarcina
barkeri) 		no annotation 4 PHE A  74
GLY A  75
ILE A  50
LEU A 259
 None
 0.76A 4o8fB-4j4bA:
undetectable		 4o8fB-4j4bA:
24.34
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		4 ILE A 530
ILE A 615
ILE A 546
LEU A 581
 None
 0.73A 4o8fB-4j5tA:
undetectable		 4o8fB-4j5tA:
17.79
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.
4je0 SER-ASP RICH
FIBRINOGEN/BONE
SIALOPROTEIN-BINDING
PROTEIN SDRD

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		4 ILE A  51
GLY A 137
ILE A  37
LEU A  33
 None
 0.74A 4o8fB-4je0A:
undetectable		 4o8fB-4je0A:
24.02
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.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ILE A 517
ILE A 552
ILE A 504
LEU A 535
 None
 0.75A 4o8fB-4m7eA:
undetectable		 4o8fB-4m7eA:
17.22
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.
4or2 SOLUBLE CYTOCHROME
B562, METABOTROPIC
GLUTAMATE RECEPTOR 1

(Escherichia
coli;
Homo sapiens) 		PF00003
(7tm_3)
PF07361
(Cytochrom_B562) 		4 ILE A 638
PHE A 639
GLY A 641
ILE A 597
 None
None
None
CLR  A1902 ( 4.6A)
 0.75A 4o8fB-4or2A:
undetectable		 4o8fB-4or2A:
21.52
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.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ILE A 362
GLY A 364
ILE A 387
ILE A 422
LEU A 435
 None
 1.07A 4o8fB-4pj6A:
undetectable		 4o8fB-4pj6A:
17.31
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.
4pw0 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Chitinophaga
pinensis) 		PF00561
(Abhydrolase_1) 		4 ILE A 128
GLY A 105
ILE A  93
LEU A 277
 None
 0.59A 4o8fB-4pw0A:
undetectable		 4o8fB-4pw0A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3l MGS-M2

(unidentified) 		PF00561
(Abhydrolase_1) 		4 ILE A  96
GLY A  99
ILE A 114
ILE A  28
 None
 0.63A 4o8fB-4q3lA:
undetectable		 4o8fB-4q3lA:
22.87
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.
4rit PYRIDOXAL-DEPENDENT
DECARBOXYLASE

(Sphaerobacter
thermophilus) 		no annotation 4 ILE B 437
PHE B 438
ILE B 405
ILE B 464
 None
 0.77A 4o8fB-4ritB:
undetectable		 4o8fB-4ritB:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqv ALGM1
ALGM2

(Sphingomonas
sp.) 		PF00528
(BPD_transp_1) 		4 ILE B  36
ILE A 136
ILE B 268
LEU A 151
 None
 0.71A 4o8fB-4tqvB:
undetectable		 4o8fB-4tqvB:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		4 ILE A  32
PHE A  35
GLY A  30
LEU A 187
 None
None
TRP  A 601 (-3.1A)
None
 0.77A 4o8fB-4us4A:
0.5		 4o8fB-4us4A:
22.13
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 GLY A 409
ILE A  64
ILE A 404
LEU A 448
 None
 0.71A 4o8fB-4uwaA:
undetectable		 4o8fB-4uwaA:
5.62
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.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		4 ILE A 534
ILE A 231
ILE A 297
LEU A 529
 None
 0.72A 4o8fB-4wgkA:
undetectable		 4o8fB-4wgkA:
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.
4wss HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ILE A  61
GLY A  63
ILE A 249
LEU A 101
 None
 0.78A 4o8fB-4wssA:
undetectable		 4o8fB-4wssA:
20.74
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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNG
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli) 		PF05861
(PhnI)
PF06754
(PhnG) 		4 ILE C  54
GLY C  52
ILE C 178
LEU A  46
 None
 0.59A 4o8fB-4xb6C:
undetectable		 4o8fB-4xb6C:
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.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		4 GLY A  64
ILE A   8
ILE A 350
LEU A 161
 None
 0.76A 4o8fB-4xydA:
undetectable		 4o8fB-4xydA:
21.10
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.
4yyb HA1

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ILE A  61
GLY A  63
ILE A 228
LEU A 101
 None
 0.78A 4o8fB-4yybA:
undetectable		 4o8fB-4yybA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z8s RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00161
(RIP) 		4 GLY A 128
ILE A 167
ILE A 175
LEU A   4
 None
 0.72A 4o8fB-4z8sA:
undetectable		 4o8fB-4z8sA:
24.00
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		4 ILE A 219
GLY A 221
ILE A 264
LEU A 238
 None
 0.74A 4o8fB-5dlyA:
undetectable		 4o8fB-5dlyA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ex8 CYTOCHROME P450

(Streptomyces
toyocaensis) 		PF00067
(p450) 		4 PHE A 228
GLY A  83
ILE A 217
LEU A 205
 EDO  A 402 (-4.2A)
None
None
None
 0.69A 4o8fB-5ex8A:
2.4		 4o8fB-5ex8A:
19.58
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.
5g5a GLUTATHIONE
S-TRANSFERASE U25

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 ILE A  54
GLY A  16
ILE A 205
LEU A  37
 GSH  A1221 (-4.1A)
None
None
GSH  A1221 ( 4.1A)
 0.77A 4o8fB-5g5aA:
undetectable		 4o8fB-5g5aA:
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.
5g5a GLUTATHIONE
S-TRANSFERASE U25

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 PHE A  15
GLY A  16
ILE A 205
LEU A  37
 GSH  A1221 (-4.4A)
None
None
GSH  A1221 ( 4.1A)
 0.69A 4o8fB-5g5aA:
undetectable		 4o8fB-5g5aA:
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		4 ILE A  74
ILE A  49
ILE A 175
LEU A 121
 None
 0.62A 4o8fB-5h9dA:
1.8		 4o8fB-5h9dA:
23.96
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.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		4 ILE A 132
ILE A  69
ILE A  57
LEU A  37
 None
 0.71A 4o8fB-5o4mA:
undetectable		 4o8fB-5o4mA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tub SHARK TBC1D15
GTPASE-ACTIVATING
PROTEIN

(Squalimorphii) 		PF00566
(RabGAP-TBC) 		4 ILE A 473
GLY A 475
ILE A 483
LEU A 470
 None
 0.77A 4o8fB-5tubA:
undetectable		 4o8fB-5tubA:
23.92
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.
5uje SBNI PROTEIN

(Staphylococcus
aureus) 		no annotation 4 ILE A   4
GLY A 207
ILE A  57
LEU A   8
 None
 0.57A 4o8fB-5ujeA:
undetectable		 4o8fB-5ujeA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 4 PHE A 915
GLY A 916
ILE A 944
ILE A 936
 None
 0.77A 4o8fB-5vhaA:
undetectable		 4o8fB-5vhaA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wls POLLEN RECEPTOR-LIKE
KINASE 3

(Arabidopsis
thaliana) 		no annotation 4 ILE A  96
ILE A 130
ILE A  82
LEU A 113
 None
 0.73A 4o8fB-5wlsA:
undetectable		 4o8fB-5wlsA:
16.47
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.
5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL

(Homo sapiens) 		PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		4 ILE M 222
GLY M 220
ILE M 691
LEU M 195
 None
 0.62A 4o8fB-5xtbM:
undetectable		 4o8fB-5xtbM:
17.09
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.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 4 ILE A 969
PHE A1042
GLY A1040
ILE A1090
 CLR  A1606 ( 4.7A)
None
None
CLR  A1606 ( 4.8A)
 0.66A 4o8fB-6bhuA:
2.2		 4o8fB-6bhuA:
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.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 4 ILE A  77
ILE A 145
ILE A 124
LEU A  51
 None
 0.73A 4o8fB-6cgmA:
undetectable		 4o8fB-6cgmA:
16.41
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 4 GLY A2274
ILE A2161
ILE A2272
LEU A2451
 None
 0.63A 4o8fB-6emkA:
undetectable		 4o8fB-6emkA:
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 ILE A 718
GLY A 721
ILE A 848
ILE A 839
 None
 0.63A 4o8fB-6fn1A:
undetectable		 4o8fB-6fn1A:
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.
6h7x -

(-) 		no annotation 4 ILE A 103
GLY A 105
ILE A 346
LEU A 296
 None
 0.71A 4o8fB-6h7xA:
undetectable		 4o8fB-6h7xA:
undetectable