SIMILAR PATTERNS OF AMINO ACIDS FOR 2AZX_B_TRPB603_0

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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 THR A 526
GLY A 491
GLY A 531
ILE A 324
GLN A 277
 None
 1.35A 2azxB-1dgjA:
undetectable		 2azxB-1dgjA:
20.07
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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
PF00374
(NiFeSe_Hases) 		5 GLY B  72
GLN B  68
THR B  75
ILE A 249
CYH A 251
 None
None
None
F3S  A 267 (-4.4A)
F3S  A 267 (-2.3A)
 1.28A 2azxB-1e3dB:
undetectable		 2azxB-1e3dB:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)
PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		5 GLY A 245
GLY A 267
GLN A 240
GLN A 243
PHE B  38
 FAD  A 399 (-4.6A)
None
FAD  A 399 (-3.9A)
None
FAD  A 399 (-4.4A)
 1.29A 2azxB-1efpA:
2.8		 2azxB-1efpA:
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 5 THR Y 267
GLY Y 266
GLY Y 410
THR Y 264
GLN Y 246
 ACP  Y 601 (-3.6A)
ACP  Y 601 (-3.6A)
ACP  Y 601 ( 4.2A)
None
GOL  Y 600 (-3.2A)
 1.28A 2azxB-1gllY:
undetectable		 2azxB-1gllY:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 THR A 170
GLY A 171
GLY A 333
GLN A 200
ILE A 362
 None
None
None
CYS  A2002 ( 4.2A)
None
 1.35A 2azxB-1n31A:
2.2		 2azxB-1n31A:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5t TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		6 THR A 160
GLY A 161
GLY A 163
GLU A 199
ILE A 307
PHE A 317
 None
 0.74A 2azxB-1o5tA:
54.2		 2azxB-1o5tA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5t TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		7 TYR A 159
GLY A 161
GLY A 163
GLN A 194
THR A 196
GLU A 199
GLN A 284
 None
 0.72A 2azxB-1o5tA:
54.2		 2azxB-1o5tA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5t TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		8 TYR A 159
THR A 160
GLY A 161
GLY A 163
GLN A 194
THR A 196
GLU A 199
ILE A 307
 None
 0.44A 2azxB-1o5tA:
54.2		 2azxB-1o5tA:
99.47
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.
1poy SPERMIDINE/PUTRESCIN
E-BINDING PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 TYR 1 293
GLY 1 132
THR 1 134
GLU 1 171
ILE 1 130
 SPD  1 400 ( 4.6A)
None
None
SPD  1 400 (-3.5A)
None
 1.34A 2azxB-1poy1:
undetectable		 2azxB-1poy1:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6u TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 THR A 160
GLY A 161
GLY A 163
GLN A 194
GLN A 284
 TYM  A 501 (-4.5A)
TYM  A 501 (-3.6A)
TYM  A 501 (-3.6A)
TYM  A 501 (-4.0A)
TYM  A 501 (-3.2A)
 0.97A 2azxB-1r6uA:
63.4		 2azxB-1r6uA:
88.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6u TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 THR A 160
GLY A 161
GLY A 163
GLN A 284
GLN A 313
 TYM  A 501 (-4.5A)
TYM  A 501 (-3.6A)
TYM  A 501 (-3.6A)
TYM  A 501 (-3.2A)
TYM  A 501 (-3.6A)
 1.02A 2azxB-1r6uA:
63.4		 2azxB-1r6uA:
88.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6u TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		12 TYR A 159
THR A 160
GLY A 161
GLY A 163
GLN A 194
THR A 196
GLU A 199
GLN A 284
ILE A 307
CYH A 309
GLN A 313
PHE A 317
 TYM  A 501 (-3.8A)
TYM  A 501 (-4.5A)
TYM  A 501 (-3.6A)
TYM  A 501 (-3.6A)
TYM  A 501 (-4.0A)
TYM  A 501 ( 3.8A)
TYM  A 501 (-3.0A)
TYM  A 501 (-3.2A)
TYM  A 501 (-4.8A)
TYM  A 501 (-4.8A)
TYM  A 501 (-3.6A)
TYM  A 501 (-4.7A)
 0.29A 2azxB-1r6uA:
63.4		 2azxB-1r6uA:
88.84
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.
1yw1 PROTEIN YTNJ

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 GLY A 118
GLY A 420
GLN A 209
THR A 421
GLU A 424
 None
 1.29A 2azxB-1yw1A:
undetectable		 2azxB-1yw1A:
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.
2d42 NON-TOXIC CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 THR A 228
GLY A 227
GLY A 225
ILE A 229
PHE A 121
 None
 1.14A 2azxB-2d42A:
undetectable		 2azxB-2d42A:
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A  99
GLY A 113
GLY A 109
ILE A 118
GLN A 116
 None
 1.35A 2azxB-2fqdA:
undetectable		 2azxB-2fqdA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gmi UBIQUITIN-CONJUGATIN
G ENZYME VARIANT
MMS2

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		5 THR B  44
GLY B  43
GLY B  29
ILE B  45
CYH B  26
 None
 1.18A 2azxB-2gmiB:
undetectable		 2azxB-2gmiB:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		5 GLY A 153
GLY A 151
GLU A  70
GLN A 198
ILE A 202
 None
None
CA  A 461 ( 3.3A)
CA  A 461 ( 3.0A)
None
 1.34A 2azxB-2i4cA:
undetectable		 2azxB-2i4cA:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		5 TYR A 159
GLU A 199
ILE A 306
CYH A 308
PHE A 316
 None
PG4  A 950 (-3.7A)
None
None
PG4  A 950 ( 4.8A)
 1.12A 2azxB-2ip1A:
49.0		 2azxB-2ip1A:
46.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		5 TYR A 159
ILE A 306
CYH A 308
GLN A 312
PHE A 316
 None
None
None
PG4  A 950 (-4.2A)
PG4  A 950 ( 4.8A)
 1.03A 2azxB-2ip1A:
49.0		 2azxB-2ip1A:
46.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		5 TYR A 159
THR A 160
GLY A 161
GLN A 283
ILE A 306
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 ( 4.0A)
None
 1.19A 2azxB-2ip1A:
49.0		 2azxB-2ip1A:
46.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		8 TYR A 159
THR A 160
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
PHE A 316
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
PG4  A 950 ( 4.8A)
 0.83A 2azxB-2ip1A:
49.0		 2azxB-2ip1A:
46.54
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.
2j3m PROLYL-TRNA
SYNTHETASE

(Enterococcus
faecalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		5 TYR A 441
GLY A 439
GLY A 415
GLU A 167
ILE A 411
 None
 1.26A 2azxB-2j3mA:
undetectable		 2azxB-2j3mA:
20.07
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.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		5 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.24A 2azxB-2jlsA:
undetectable		 2azxB-2jlsA:
23.70
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.
2mpr MALTOPORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 GLY A  18
GLY A  15
THR A  14
GLU A 416
GLN A  21
 None
 1.27A 2azxB-2mprA:
undetectable		 2azxB-2mprA:
21.29
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.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 119
GLY A 121
GLY A 335
ILE A  94
GLN A  96
 None
AZI  A 395 (-3.6A)
NAD  A 394 (-3.4A)
None
None
 1.26A 2azxB-2nadA:
undetectable		 2azxB-2nadA:
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.
2osy ENDOGLYCOCERAMIDASE
II

(Rhodococcus sp.) 		PF00150
(Cellulase) 		5 TYR A 369
GLY A  88
THR A  89
GLU A  83
ILE A 365
 None
 1.35A 2azxB-2osyA:
undetectable		 2azxB-2osyA:
21.17
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 THR A  11
GLY A  12
GLY A 350
THR A 336
ILE A   9
 None
 1.36A 2azxB-2p50A:
undetectable		 2azxB-2p50A:
22.79
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.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 TYR A 135
GLY A 260
ILE A 297
CYH A 263
GLN A 262
 None
 1.19A 2azxB-2ph5A:
undetectable		 2azxB-2ph5A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 THR A 411
GLY A 410
GLY A 386
GLU A 361
GLN A 418
 None
 1.26A 2azxB-2uvfA:
undetectable		 2azxB-2uvfA:
22.03
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.
2v28 PHENYLALANINE-4-HYDR
OXYLASE

(Colwellia
psychrerythraea) 		PF00351
(Biopterin_H) 		5 GLY A 126
GLY A 181
GLU A 167
ILE A 124
CYH A 128
 None
 1.30A 2azxB-2v28A:
undetectable		 2azxB-2v28A:
18.28
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.
2vdf OUTER MEMBRANE
PROTEIN

(Neisseria
meningitidis) 		PF07239
(OpcA) 		5 TYR A  93
THR A  94
GLY A  95
GLY A  49
THR A  97
 None
 1.17A 2azxB-2vdfA:
undetectable		 2azxB-2vdfA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 GLY A 106
GLY A  76
GLN A 108
ILE A 177
GLN A 188
 None
 1.35A 2azxB-2vxoA:
undetectable		 2azxB-2vxoA:
21.84
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.
2w40 GLYCEROL KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 THR A 268
GLY A 267
GLY A 413
THR A 265
GLN A 247
 None
None
None
None
GOL  A1511 (-4.1A)
 1.35A 2azxB-2w40A:
undetectable		 2azxB-2w40A:
24.64
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.
2wam CONSERVED
HYPOTHETICAL ALANINE
AND LEUCINE RICH
PROTEIN

(Mycobacterium
tuberculosis) 		PF09754
(PAC2) 		5 THR A 152
GLY A 151
GLY A 149
GLU A 196
PHE A 307
 None
 1.27A 2azxB-2wamA:
undetectable		 2azxB-2wamA:
21.84
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.
2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF07652
(Flavi_DEAD) 		5 GLY A 420
GLY A 356
THR A 358
ILE A 332
GLN A 471
 None
 1.21A 2azxB-2whxA:
undetectable		 2azxB-2whxA:
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.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		5 GLY A  89
GLY A  84
GLN A  56
THR A 274
ILE A 285
 ATP  A 501 (-3.2A)
None
None
None
ATP  A 501 (-3.7A)
 1.36A 2azxB-2xszA:
undetectable		 2azxB-2xszA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8e RAB-PROTEIN 6

(Drosophila
melanogaster) 		PF00071
(Ras) 		5 THR A  44
GLY A  19
GLN A  21
ILE A  45
PHE A  74
 MG  A1177 ( 3.1A)
None
GNP  A1176 (-4.8A)
None
None
 1.27A 2azxB-2y8eA:
undetectable		 2azxB-2y8eA:
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.
2z8e GALACTO-N-BIOSE/LACT
O-N-BIOSE I
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		5 THR A 290
GLY A 291
GLY A 293
ILE A 265
PHE A 283
 None
 1.33A 2azxB-2z8eA:
undetectable		 2azxB-2z8eA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 THR A 414
GLY A 295
GLN A 317
ILE A 415
PHE A 321
 None
 1.18A 2azxB-3cb5A:
undetectable		 2azxB-3cb5A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		5 TYR A  19
GLY A  27
GLN A 209
GLN A 233
PHE A 229
 None
 1.05A 2azxB-3f4kA:
2.2		 2azxB-3f4kA:
19.31
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 THR A 524
GLY A 489
GLY A 529
GLU A 493
ILE A 324
 None
 1.27A 2azxB-3fahA:
undetectable		 2azxB-3fahA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 THR A 256
GLY A 255
GLY A 284
ILE A 273
PHE A 309
 None
 1.31A 2azxB-3fgbA:
undetectable		 2azxB-3fgbA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 119
GLY A 121
GLY A 335
ILE A  94
GLN A  96
 None
GOL  A 402 ( 4.0A)
GOL  A 402 (-3.5A)
None
None
 1.29A 2azxB-3fn4A:
undetectable		 2azxB-3fn4A:
19.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		6 TYR A  73
GLY A  75
GLY A  77
GLN A 108
THR A 110
GLN A 198
 None
 0.64A 2azxB-3focA:
45.9		 2azxB-3focA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		9 TYR A  73
THR A  74
GLY A  75
GLY A  77
GLN A 108
THR A 110
GLU A 113
ILE A 269
PHE A 279
 None
 0.54A 2azxB-3focA:
45.9		 2azxB-3focA:
40.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		6 TYR A  73
THR A  74
GLY A  75
ILE A 269
GLN A 275
PHE A 279
 None
 1.02A 2azxB-3focA:
45.9		 2azxB-3focA:
40.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g06 SSPH2 (LEUCINE-RICH
REPEAT PROTEIN)

(Salmonella
enterica) 		PF14496
(NEL) 		5 GLY A 623
GLN A 590
ILE A 642
GLN A 649
PHE A 586
 None
 1.07A 2azxB-3g06A:
undetectable		 2azxB-3g06A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 THR A 266
GLY A 265
GLY A 409
THR A 263
GLN A 245
 PO4  A 502 ( 3.4A)
PO4  A 502 (-3.3A)
None
None
GOL  A 499 (-4.0A)
 1.23A 2azxB-3g25A:
undetectable		 2azxB-3g25A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9j MCCB PROTEIN

(Escherichia
coli) 		PF00899
(ThiF) 		5 GLY A  21
GLY A  23
ILE A  38
GLN A  27
PHE A  71
 None
 1.16A 2azxB-3h9jA:
2.9		 2azxB-3h9jA:
19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hv0 TRYPTOPHANYL-TRNA
SYNTHETASE

(Cryptosporidium
parvum) 		PF00579
(tRNA-synt_1b) 		5 THR A 279
GLY A 280
GLY A 282
GLN A 313
GLN A 401
 TRP  A   1 ( 4.7A)
TRP  A   1 (-3.3A)
TRP  A   1 (-3.7A)
TRP  A   1 (-4.5A)
TRP  A   1 (-3.2A)
 0.92A 2azxB-3hv0A:
48.0		 2azxB-3hv0A:
47.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hv0 TRYPTOPHANYL-TRNA
SYNTHETASE

(Cryptosporidium
parvum) 		PF00579
(tRNA-synt_1b) 		5 THR A 279
GLY A 280
GLY A 282
GLN A 401
GLN A 430
 TRP  A   1 ( 4.7A)
TRP  A   1 (-3.3A)
TRP  A   1 (-3.7A)
TRP  A   1 (-3.2A)
TRP  A   1 (-3.4A)
 1.03A 2azxB-3hv0A:
48.0		 2azxB-3hv0A:
47.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hv0 TRYPTOPHANYL-TRNA
SYNTHETASE

(Cryptosporidium
parvum) 		PF00579
(tRNA-synt_1b) 		10 TYR A 278
THR A 279
GLY A 280
GLY A 282
GLN A 313
THR A 315
GLU A 318
GLN A 401
GLN A 430
PHE A 434
 TRP  A   1 (-4.2A)
TRP  A   1 ( 4.7A)
TRP  A   1 (-3.3A)
TRP  A   1 (-3.7A)
TRP  A   1 (-4.5A)
TRP  A   1 (-4.0A)
TRP  A   1 (-2.5A)
TRP  A   1 (-3.2A)
TRP  A   1 (-3.4A)
TRP  A   1 (-4.8A)
 0.31A 2azxB-3hv0A:
48.0		 2azxB-3hv0A:
47.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF00579
(tRNA-synt_1b) 		9 TYR A  76
THR A  77
GLY A  78
GLY A  80
GLN A 111
THR A 113
GLU A 116
GLN A 198
ILE A 222
 None
 0.60A 2azxB-3i05A:
42.3		 2azxB-3i05A:
46.96
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.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		5 GLY A 211
GLY A 205
GLU A 177
ILE A 235
PHE A 225
 None
 1.33A 2azxB-3i44A:
2.6		 2azxB-3i44A:
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.
3igx TRANSALDOLASE

(Francisella
tularensis) 		PF00923
(TAL_FSA) 		5 TYR A 122
GLY A  85
GLY A  20
THR A  35
ILE A 127
 None
 1.20A 2azxB-3igxA:
undetectable		 2azxB-3igxA:
23.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 THR A  78
GLY A  79
GLY A  81
GLN A 111
GLN A 198
 TYM  A 400 (-4.6A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.5A)
TYM  A 400 (-4.1A)
TYM  A 400 (-3.2A)
 0.89A 2azxB-3jxeA:
46.3		 2azxB-3jxeA:
37.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 THR A  78
GLY A  79
GLY A  81
GLN A 198
GLN A 217
 TYM  A 400 (-4.6A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.5A)
TYM  A 400 (-3.2A)
TYM  A 400 (-3.5A)
 1.07A 2azxB-3jxeA:
46.3		 2azxB-3jxeA:
37.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		10 TYR A  77
THR A  78
GLY A  79
GLY A  81
GLN A 111
THR A 113
GLU A 116
GLN A 198
ILE A 211
GLN A 217
 TYM  A 400 (-4.1A)
TYM  A 400 (-4.6A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.5A)
TYM  A 400 (-4.1A)
TYM  A 400 (-3.6A)
TYM  A 400 (-2.7A)
TYM  A 400 (-3.2A)
None
TYM  A 400 (-3.5A)
 0.26A 2azxB-3jxeA:
46.3		 2azxB-3jxeA:
37.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m16 TRANSALDOLASE

(Oleispira
antarctica) 		PF00923
(TAL_FSA) 		5 TYR A 126
GLY A  89
GLY A  23
THR A  38
ILE A 131
 None
 1.15A 2azxB-3m16A:
undetectable		 2azxB-3m16A:
23.57
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		5 THR A 311
GLY A 277
THR A 276
ILE A 131
GLN A 309
 None
 1.35A 2azxB-3od1A:
undetectable		 2azxB-3od1A:
21.27
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.
3oix PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE
DIHYDROOROTATE
OXIDASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		5 THR A  63
GLY A  66
GLY A 219
GLN A 275
THR A 271
 None
None
FMN  A 400 (-3.7A)
None
FMN  A 400 (-3.6A)
 1.34A 2azxB-3oixA:
undetectable		 2azxB-3oixA:
22.92
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.
3p1v METALLO-ENDOPEPTIDAS
E

(Bacteroides
ovatus) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 THR A 129
GLY A  71
ILE A  46
GLN A  96
PHE A  37
 None
 0.92A 2azxB-3p1vA:
undetectable		 2azxB-3p1vA:
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.
3r9w GTPASE ERA

(Aquifex
aeolicus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		5 TYR A   5
GLY A   4
GLY A 176
GLN A  53
PHE A 180
 None
 1.36A 2azxB-3r9wA:
undetectable		 2azxB-3r9wA:
20.33
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.
3ts7 GERANYLTRANSTRANSFER
ASE

(Methylococcus
capsulatus) 		PF00348
(polyprenyl_synt) 		5 GLY A 220
GLY A 187
GLN A 224
THR A 186
ILE A 296
 None
 1.30A 2azxB-3ts7A:
undetectable		 2azxB-3ts7A:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tze TRYPTOPHANYL-TRNA
SYNTHETASE

(Encephalitozoon
cuniculi) 		PF00579
(tRNA-synt_1b) 		9 TYR A  84
THR A  85
GLY A  86
GLY A  88
GLN A 119
THR A 121
GLU A 124
GLN A 232
PHE A 236
 TRP  A 386 (-3.8A)
TRP  A 386 (-4.3A)
TRP  A 386 (-3.3A)
TRP  A 386 ( 4.0A)
TRP  A 386 (-3.9A)
TRP  A 386 (-3.6A)
TRP  A 386 (-2.8A)
TRP  A 386 (-3.2A)
None
 0.56A 2azxB-3tzeA:
49.0		 2azxB-3tzeA:
39.62
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 THR A 521
GLY A 522
GLY A 487
THR A 399
GLU A 484
 None
 1.34A 2azxB-3u4aA:
undetectable		 2azxB-3u4aA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uk6 RUVB-LIKE 2

(Homo sapiens) 		PF06068
(TIP49) 		5 GLY A  82
GLY A  77
GLN A  49
THR A 359
ILE A 370
 ADP  A1450 (-3.3A)
None
None
None
ADP  A1450 ( 4.0A)
 1.26A 2azxB-3uk6A:
undetectable		 2azxB-3uk6A:
20.73
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 146
GLY A 147
GLY A 176
THR A 272
ILE A 243
 None
 1.23A 2azxB-3wsvA:
undetectable		 2azxB-3wsvA:
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.
3zou FARNESYL
PYROPHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00348
(polyprenyl_synt) 		5 GLY A 215
GLY A 182
GLN A 219
THR A 181
ILE A 290
 None
 1.25A 2azxB-3zouA:
undetectable		 2azxB-3zouA:
19.60
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.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		5 THR A 188
GLY A  72
GLY A 111
THR A  76
ILE A 231
 ANP  A 700 (-3.7A)
ANP  A 700 (-3.6A)
None
None
None
 1.30A 2azxB-4a5aA:
undetectable		 2azxB-4a5aA:
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		5 THR A 390
GLY A 440
GLY A 431
ILE A 192
PHE A 196
 None
 1.34A 2azxB-4cp8A:
undetectable		 2azxB-4cp8A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 THR A 129
GLY A  71
ILE A  46
GLN A  96
PHE A  37
 None
 0.91A 2azxB-4df9A:
undetectable		 2azxB-4df9A:
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.
4f3l CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 TYR A 299
GLY A 306
THR A 307
ILE A 297
PHE A 341
 None
 1.32A 2azxB-4f3lA:
undetectable		 2azxB-4f3lA:
20.61
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.
4fuk METHIONINE
AMINOPEPTIDASE

(Trypanosoma
brucei) 		PF00557
(Peptidase_M24) 		5 THR A 293
GLY A 286
GLY A 284
THR A 316
GLU A 349
 None
None
None
ZN  A 401 ( 3.6A)
ZN  A 402 ( 2.5A)
 1.27A 2azxB-4fukA:
undetectable		 2azxB-4fukA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7n ALDEHYDE
DEHYDROGENASE

(Trichormus
variabilis) 		PF00171
(Aldedh) 		5 THR A 362
GLY A 364
GLN A 261
THR A 259
ILE A 313
 None
 1.11A 2azxB-4h7nA:
undetectable		 2azxB-4h7nA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 THR A 311
GLY A 304
GLY A 302
THR A 334
GLU A 367
 None
None
None
CO  A 401 ( 3.6A)
CO  A 401 ( 2.1A)
 1.30A 2azxB-4hxxA:
undetectable		 2azxB-4hxxA:
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.
4i84 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 GLY A  72
GLY A  93
GLN A  71
THR A  91
GLN A  43
 None
 1.36A 2azxB-4i84A:
undetectable		 2azxB-4i84A:
20.34
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.
4i8p AMINOALDEHYDE
DEHYDROGENASE 1

(Zea mays) 		PF00171
(Aldedh) 		5 GLY A 224
GLY A 218
GLU A 190
ILE A 248
PHE A 238
 NAD  A 601 (-3.6A)
None
NAD  A 601 ( 2.9A)
None
NAD  A 601 (-4.6A)
 1.34A 2azxB-4i8pA:
undetectable		 2azxB-4i8pA:
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A  32
GLY A  22
GLY A 191
THR A 188
ILE A  54
 GOL  A 501 (-4.5A)
GOL  A 501 (-3.2A)
None
None
None
 1.18A 2azxB-4ip4A:
undetectable		 2azxB-4ip4A:
21.80
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.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 TYR A  80
THR A  79
GLY A  76
GLY A 246
GLU A 247
 None
 1.27A 2azxB-4isbA:
undetectable		 2azxB-4isbA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iu6 METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 THR A 311
GLY A 304
GLY A 302
THR A 334
GLU A 367
 None
None
None
CO  A 401 (-3.5A)
CO  A 401 ( 2.3A)
 1.30A 2azxB-4iu6A:
undetectable		 2azxB-4iu6A:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 THR A 307
GLY A 308
GLY A 310
GLN A 341
GLN A 429
 TYM  A 701 (-4.6A)
TYM  A 701 (-3.4A)
TYM  A 701 (-3.4A)
TYM  A 701 (-3.9A)
TYM  A 701 (-3.1A)
 0.95A 2azxB-4j75A:
51.5		 2azxB-4j75A:
42.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 THR A 307
GLY A 308
GLY A 310
GLN A 429
GLN A 456
 TYM  A 701 (-4.6A)
TYM  A 701 (-3.4A)
TYM  A 701 (-3.4A)
TYM  A 701 (-3.1A)
TYM  A 701 (-3.4A)
 1.01A 2azxB-4j75A:
51.5		 2azxB-4j75A:
42.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		9 TYR A 306
THR A 307
GLY A 308
GLY A 310
GLN A 341
GLU A 346
GLN A 429
GLN A 456
PHE A 460
 TYM  A 701 (-4.0A)
TYM  A 701 (-4.6A)
TYM  A 701 (-3.4A)
TYM  A 701 (-3.4A)
TYM  A 701 (-3.9A)
TYM  A 701 (-3.0A)
TYM  A 701 (-3.1A)
TYM  A 701 (-3.4A)
TYM  A 701 (-4.7A)
 0.24A 2azxB-4j75A:
51.5		 2azxB-4j75A:
42.68
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.
4jox 13.6 KDA
INSECTICIDAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF06355
(Aegerolysin) 		5 THR A  60
GLY A  59
GLY A  28
THR A  57
ILE A  61
 None
 1.00A 2azxB-4joxA:
undetectable		 2azxB-4joxA:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A3474
GLY A3363
THR A3476
GLU A3375
PHE A3383
 None
 1.22A 2azxB-4kc5A:
undetectable		 2azxB-4kc5A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lma CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 THR A 182
GLY A 183
GLY A 188
THR A 187
GLU A 191
 PLP  A 403 (-2.9A)
PLP  A 403 (-3.3A)
None
None
None
 1.27A 2azxB-4lmaA:
undetectable		 2azxB-4lmaA:
19.29
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 THR A 182
GLY A 183
GLY A 188
THR A 187
GLU A 191
 PLP  A 403 (-2.8A)
PLP  A 403 (-3.4A)
None
None
None
 1.23A 2azxB-4lmbA:
undetectable		 2azxB-4lmbA:
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.
4n4r LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04453
(OstA_C) 		5 TYR A 521
THR A 592
GLY A 593
GLY A 526
GLU A 477
 None
 1.32A 2azxB-4n4rA:
undetectable		 2azxB-4n4rA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p15 BACILLUS LEHENSIS
CLPC N-TERMINAL
DOMAIN

(Bacillus
lehensis) 		PF02861
(Clp_N) 		5 GLY A  54
GLN A  51
GLN A  52
ILE A  45
GLN A 137
 None
None
None
SO4  A 202 (-4.5A)
None
 1.28A 2azxB-4p15A:
undetectable		 2azxB-4p15A:
14.02
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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		5 GLY A  57
GLY A 323
GLN A  88
THR A  59
ILE A 279
 None
 1.36A 2azxB-4qfuA:
undetectable		 2azxB-4qfuA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 THR A 365
GLY A 164
THR A 166
GLU A 252
ILE A 362
 None
 1.35A 2azxB-4rl6A:
3.0		 2azxB-4rl6A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xyb FORMATE
DEHYDROGENASE

(Granulicella
mallensis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 120
GLY A 122
GLY A 336
ILE A  95
GLN A  97
 None
AZI  A 402 (-3.6A)
NDP  A 401 (-3.3A)
None
None
 1.24A 2azxB-4xybA:
undetectable		 2azxB-4xybA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yjf D-AMINO-ACID OXIDASE

(Sus scrofa) 		PF01266
(DAO) 		5 TYR B 224
GLY B 313
GLY B 315
THR B 317
ILE B 223
 98B  B 404 (-3.3A)
FAD  B 401 ( 3.5A)
FAD  B 401 (-3.2A)
FAD  B 401 (-3.7A)
None
 1.23A 2azxB-4yjfB:
undetectable		 2azxB-4yjfB:
19.79
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 TYR A 420
THR A 467
GLN A 455
ILE A 418
PHE A 453
 None
 1.01A 2azxB-4z11A:
undetectable		 2azxB-4z11A:
21.82
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		5 THR A1428
GLY A1267
GLN A1510
ILE A1519
PHE A1549
 None
 1.35A 2azxB-5amqA:
undetectable		 2azxB-5amqA:
12.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 GLY A 739
GLY A 490
GLN A 923
THR A 741
ILE A 494
 None
 1.17A 2azxB-5m59A:
undetectable		 2azxB-5m59A:
14.41
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.
5nfr MALATE DEHYDROGENASE

(Plasmodium
falciparum) 		no annotation 5 TYR A 294
GLY A 172
GLY A 144
THR A 252
ILE A 298
 None
 1.22A 2azxB-5nfrA:
undetectable		 2azxB-5nfrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wtp OMPA FAMILY PROTEIN

(Capnocytophaga
gingivalis) 		no annotation 5 GLY A 387
GLY A 429
GLN A 403
ILE A 385
GLN A 426
 None
 1.22A 2azxB-5wtpA:
undetectable		 2azxB-5wtpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhs RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 5 GLY A  76
GLY A  71
GLN A  43
THR A 364
ILE A 375
 ADP  A 501 (-3.2A)
None
None
None
ADP  A 501 (-3.9A)
 1.30A 2azxB-6fhsA:
undetectable		 2azxB-6fhsA:
undetectable