SIMILAR PATTERNS OF AMINO ACIDS FOR 4O8F_B_BRLB501_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.
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