SIMILAR PATTERNS OF AMINO ACIDS FOR 2AKE_A_TRPA479_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
GLU A 495
ILE A 324
 None
 1.21A 2akeA-1dgjA:
undetectable		 2akeA-1dgjA:
17.89
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.
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
 1.33A 2akeA-1dgjA:
undetectable		 2akeA-1dgjA:
17.89
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.
1htw HI0065

(Haemophilus
influenzae) 		PF02367
(TsaE) 		5 TYR A  37
GLY A 149
THR A 146
ILE A 112
CYH A 110
 None
 1.44A 2akeA-1htwA:
undetectable		 2akeA-1htwA:
20.13
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 TYR A 138
GLY A 458
GLY A 462
ILE A 140
PHE A 145
 None
 1.42A 2akeA-1j0hA:
undetectable		 2akeA-1j0hA:
21.87
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.
1mpo MALTOPORIN

(Escherichia
coli) 		PF02264
(LamB) 		5 GLY A  18
GLY A  15
THR A  14
GLU A 410
GLN A  21
 None
 1.42A 2akeA-1mpoA:
undetectable		 2akeA-1mpoA:
20.99
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.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		5 TYR A 155
THR A 168
GLY A 169
GLY A  62
CYH A 305
 None
 1.14A 2akeA-1nsvA:
undetectable		 2akeA-1nsvA:
24.64
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 THR A 160
GLY A 161
GLY A 163
THR A 196
GLU A 199
LYS A 200
ILE A 307
PHE A 317
 None
 0.73A 2akeA-1o5tA:
54.6		 2akeA-1o5tA:
100.00
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
THR A 196
GLU A 199
LYS A 200
GLN A 284
 None
 0.72A 2akeA-1o5tA:
54.6		 2akeA-1o5tA:
100.00
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
THR A 196
GLU A 199
LYS A 200
ILE A 307
 None
 0.50A 2akeA-1o5tA:
54.6		 2akeA-1o5tA:
100.00
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)
 1.01A 2akeA-1r6uA:
56.8		 2akeA-1r6uA:
97.70
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
THR A 196
GLU A 199
LYS A 200
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 ( 3.8A)
TYM  A 501 (-3.0A)
None
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)
 0.41A 2akeA-1r6uA:
56.8		 2akeA-1r6uA:
97.70
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.
1suw PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Archaeoglobus
fulgidus) 		PF01513
(NAD_kinase) 		5 THR A  51
GLY A  48
GLY A  74
LYS A 244
ILE A  55
 None
NAP  A3075 (-3.4A)
NAP  A3075 ( 4.7A)
None
None
 1.38A 2akeA-1suwA:
undetectable		 2akeA-1suwA:
20.35
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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		5 GLY A 368
GLY A 520
THR A 519
GLN A 405
PHE A 398
 None
 1.26A 2akeA-1yi7A:
undetectable		 2akeA-1yi7A:
21.00
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.
1z0u PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Archaeoglobus
fulgidus) 		PF01513
(NAD_kinase) 		5 THR A  51
GLY A  48
GLY A  74
LYS A 244
ILE A  55
 SO4  A 701 (-2.9A)
NAP  A3076 ( 3.7A)
NAP  A3076 ( 4.9A)
None
None
 1.42A 2akeA-1z0uA:
undetectable		 2akeA-1z0uA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 2akeA-2d42A:
undetectable		 2akeA-2d42A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 2akeA-2gmiB:
undetectable		 2akeA-2gmiB:
16.53
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.
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
 1.35A 2akeA-2i4cA:
undetectable		 2akeA-2i4cA:
22.37
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) 		7 THR A 160
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
PHE A 316
 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)
 0.67A 2akeA-2ip1A:
49.4		 2akeA-2ip1A:
48.96
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) 		7 TYR A 159
THR A 160
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
 0.60A 2akeA-2ip1A:
49.4		 2akeA-2ip1A:
48.96
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) 		6 TYR A 159
THR A 160
GLY A 161
GLY A 163
THR A 196
LYS A 200
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
None
 0.80A 2akeA-2ip1A:
49.4		 2akeA-2ip1A:
48.96
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.
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
 1.23A 2akeA-2nadA:
2.4		 2akeA-2nadA:
20.86
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.
2nzx ALPHA1,3-FUCOSYLTRAN
SFERASE

(Helicobacter
pylori) 		PF00852
(Glyco_transf_10) 		5 TYR A  92
THR A  93
GLY A  94
GLU A 249
LYS A 250
 None
None
None
GDP  A3001 (-3.9A)
GDP  A3001 (-2.9A)
 1.16A 2akeA-2nzxA:
undetectable		 2akeA-2nzxA:
24.07
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.
2osy ENDOGLYCOCERAMIDASE
II

(Rhodococcus sp.) 		PF00150
(Cellulase) 		5 TYR A 369
GLY A  88
THR A  89
GLU A  83
ILE A 365
 None
 1.36A 2akeA-2osyA:
2.1		 2akeA-2osyA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 2akeA-2p50A:
undetectable		 2akeA-2p50A:
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.
2ts1 TYROSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		5 TYR A  34
GLY A  36
THR A  73
GLN A 173
GLN A 195
 None
 0.83A 2akeA-2ts1A:
20.5		 2akeA-2ts1A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.32A 2akeA-2v28A:
undetectable		 2akeA-2v28A:
21.76
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.
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
 1.36A 2akeA-2vxoA:
undetectable		 2akeA-2vxoA:
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.
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)
 1.36A 2akeA-2w40A:
undetectable		 2akeA-2w40A:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 2akeA-2wamA:
undetectable		 2akeA-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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 TYR A  15
GLY A 357
GLY A 361
ILE A  17
PHE A  22
 None
 1.44A 2akeA-2wc7A:
undetectable		 2akeA-2wc7A:
20.87
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.
2ym9 CELL INVASION
PROTEIN SIPD

(Salmonella
enterica) 		PF06511
(IpaD) 		5 GLY A 184
GLY A 181
THR A 186
GLU A 281
LYS A 188
 None
None
None
None
GOL  A1342 (-2.4A)
 1.05A 2akeA-2ym9A:
undetectable		 2akeA-2ym9A:
21.87
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 TYR A  10
GLY A 349
GLY A 353
ILE A  12
PHE A  17
 None
 1.40A 2akeA-2z1kA:
undetectable		 2akeA-2z1kA:
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.
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
 1.29A 2akeA-2z8eA:
undetectable		 2akeA-2z8eA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zah COAT PROTEIN

(Melon necrotic
spot virus) 		PF00729
(Viral_coat) 		5 TYR A 310
THR A 380
GLY A 140
ILE A 379
CYH A 267
 None
 1.05A 2akeA-2zahA:
undetectable		 2akeA-2zahA:
21.63
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.
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
 1.13A 2akeA-3cb5A:
undetectable		 2akeA-3cb5A:
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.
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
 1.23A 2akeA-3fahA:
undetectable		 2akeA-3fahA:
17.07
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.
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
ILE A 324
GLN A 277
 None
 1.39A 2akeA-3fahA:
undetectable		 2akeA-3fahA:
17.07
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.
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
 1.32A 2akeA-3fgbA:
undetectable		 2akeA-3fgbA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fky GLUTAMINE SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLY A  35
THR A  34
ILE A  74
CYH A  98
PHE A  59
 None
 1.36A 2akeA-3fkyA:
undetectable		 2akeA-3fkyA:
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.
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
 1.26A 2akeA-3fn4A:
undetectable		 2akeA-3fn4A:
20.49
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) 		7 TYR A  73
THR A  74
GLY A  75
GLY A  77
THR A 110
GLU A 113
GLN A 198
 None
 0.77A 2akeA-3focA:
46.5		 2akeA-3focA:
43.30
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) 		8 TYR A  73
THR A  74
GLY A  75
GLY A  77
THR A 110
GLU A 113
ILE A 269
PHE A 279
 None
 0.55A 2akeA-3focA:
46.5		 2akeA-3focA:
43.30
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
 1.00A 2akeA-3focA:
46.5		 2akeA-3focA:
43.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 2akeA-3g06A:
undetectable		 2akeA-3g06A:
19.03
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.
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 2akeA-3g25A:
undetectable		 2akeA-3g25A:
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 TYR A 295
GLY A 204
THR A 201
GLU A 202
ILE A 364
 None
 1.34A 2akeA-3gzyA:
undetectable		 2akeA-3gzyA:
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.
3h9j MCCB PROTEIN

(Escherichia
coli) 		PF00899
(ThiF) 		5 GLY A  21
GLY A  23
ILE A  38
GLN A  27
PHE A  71
 None
 1.17A 2akeA-3h9jA:
undetectable		 2akeA-3h9jA:
21.26
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)
 0.95A 2akeA-3hv0A:
48.9		 2akeA-3hv0A:
55.73
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
THR A 315
GLU A 318
LYS A 319
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 (-4.0A)
TRP  A   1 (-2.5A)
TRP  A   1 (-3.4A)
TRP  A   1 (-3.2A)
TRP  A   1 (-3.4A)
TRP  A   1 (-4.8A)
 0.35A 2akeA-3hv0A:
48.9		 2akeA-3hv0A:
55.73
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) 		7 TYR A  76
THR A  77
GLY A  78
GLY A  80
THR A 113
GLN A 198
ILE A 222
 None
 0.37A 2akeA-3i05A:
42.3		 2akeA-3i05A:
54.25
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) 		7 TYR A  76
THR A  77
GLY A  78
GLY A  80
THR A 113
GLU A 116
GLN A 198
 None
 0.52A 2akeA-3i05A:
42.3		 2akeA-3i05A:
54.25
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.21A 2akeA-3igxA:
undetectable		 2akeA-3igxA:
22.17
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) 		6 THR A  78
GLY A  79
GLY A  81
LYS A 117
GLN A 111
GLN A 198
 TYM  A 400 (-4.6A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.5A)
TYM  A 400 (-3.2A)
TYM  A 400 (-4.1A)
TYM  A 400 (-3.2A)
 1.21A 2akeA-3jxeA:
43.4		 2akeA-3jxeA:
43.96
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
THR A 113
GLU A 116
LYS A 117
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 (-3.6A)
TYM  A 400 (-2.7A)
TYM  A 400 (-3.2A)
TYM  A 400 (-3.2A)
None
TYM  A 400 (-3.5A)
 0.42A 2akeA-3jxeA:
43.4		 2akeA-3jxeA:
43.96
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.
3l0o TRANSCRIPTION
TERMINATION FACTOR
RHO

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF07497
(Rho_RNA_bind)
PF07498
(Rho_N) 		5 THR A 318
GLY A 175
GLY A 315
THR A 311
ILE A 319
 None
 1.35A 2akeA-3l0oA:
undetectable		 2akeA-3l0oA:
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 THR A 273
GLY A 243
GLY A 238
GLU A 267
GLN A 270
 None
 1.32A 2akeA-3ldrA:
undetectable		 2akeA-3ldrA:
19.44
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.
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 2akeA-3m16A:
undetectable		 2akeA-3m16A:
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.
3nuz PUTATIVE ACETYL
XYLAN ESTERASE

(Bacteroides
fragilis) 		PF12715
(Abhydrolase_7) 		5 THR A 334
ILE A 140
CYH A 142
GLN A 174
PHE A 178
 None
 1.07A 2akeA-3nuzA:
undetectable		 2akeA-3nuzA:
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.
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
 1.36A 2akeA-3od1A:
undetectable		 2akeA-3od1A:
20.05
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.
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 2akeA-3p1vA:
undetectable		 2akeA-3p1vA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 2akeA-3r9wA:
undetectable		 2akeA-3r9wA:
20.10
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) 		8 TYR A  84
THR A  85
GLY A  86
GLY A  88
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 (-3.6A)
TRP  A 386 (-2.8A)
TRP  A 386 (-3.2A)
None
 0.61A 2akeA-3tzeA:
48.5		 2akeA-3tzeA:
42.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.32A 2akeA-3u4aA:
undetectable		 2akeA-3u4aA:
19.54
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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		5 GLY A 996
GLY A 992
GLU A 339
GLN A 998
PHE A 396
 None
 1.41A 2akeA-3w9iA:
undetectable		 2akeA-3w9iA:
17.17
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.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		5 TYR A 199
THR A 121
GLY A 122
GLY A 124
THR A 204
 None
 1.21A 2akeA-3wmtA:
undetectable		 2akeA-3wmtA:
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.
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 2akeA-3wsvA:
undetectable		 2akeA-3wsvA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 THR A 248
GLY A 249
GLY A 125
THR A 123
ILE A 246
 None
 1.41A 2akeA-3zu0A:
undetectable		 2akeA-3zu0A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuc CELLULOSOMAL
SCAFFOLDIN

(Acetivibrio
cellulolyticus) 		PF00942
(CBM_3) 		5 TYR A 118
GLY A  51
GLN A  55
GLN A  85
PHE A  47
 None
 1.40A 2akeA-3zucA:
undetectable		 2akeA-3zucA:
19.82
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.
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
 1.35A 2akeA-4a5aA:
undetectable		 2akeA-4a5aA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		5 TYR A 229
GLY A 569
GLY A 573
ILE A 231
PHE A 236
 None
 1.41A 2akeA-4aeeA:
undetectable		 2akeA-4aeeA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bem F1FO ATPASE C2
SUBUNIT
F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii;
Acetobacterium
woodii) 		PF00137
(ATP-synt_C)
PF00137
(ATP-synt_C) 		5 GLY A  24
GLY A  65
THR J 164
GLU A  62
GLN A  29
 None
None
NA  A 201 ( 4.2A)
NA  A 201 (-2.7A)
NA  A 201 (-2.6A)
 1.33A 2akeA-4bemA:
undetectable		 2akeA-4bemA:
12.73
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.
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
 1.36A 2akeA-4cp8A:
undetectable		 2akeA-4cp8A:
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.
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
 0.90A 2akeA-4df9A:
undetectable		 2akeA-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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 TYR A  70
THR A  61
GLY A  60
GLY A  58
THR A  74
 None
 1.22A 2akeA-4ehcA:
undetectable		 2akeA-4ehcA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.25A 2akeA-4fukA:
undetectable		 2akeA-4fukA:
22.49
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.
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)
 1.28A 2akeA-4hxxA:
undetectable		 2akeA-4hxxA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.37A 2akeA-4i8pA:
undetectable		 2akeA-4i8pA:
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.
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)
 1.28A 2akeA-4iu6A:
undetectable		 2akeA-4iu6A:
22.56
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)
 1.00A 2akeA-4j75A:
51.6		 2akeA-4j75A:
49.28
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
GLU A 346
LYS A 347
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 (-3.0A)
TYM  A 701 (-3.4A)
TYM  A 701 (-3.1A)
TYM  A 701 (-3.4A)
TYM  A 701 (-4.7A)
 0.35A 2akeA-4j75A:
51.6		 2akeA-4j75A:
49.28
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 TYR A 406
GLY A 355
GLY A 353
THR A 320
ILE A 471
 None
 1.32A 2akeA-4j9uA:
undetectable		 2akeA-4j9uA:
20.51
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.
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
 0.96A 2akeA-4joxA:
undetectable		 2akeA-4joxA:
15.89
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A3474
GLY A3363
THR A3476
GLU A3375
PHE A3383
 None
 1.21A 2akeA-4kc5A:
undetectable		 2akeA-4kc5A:
17.98
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.
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
 1.36A 2akeA-4lmaA:
undetectable		 2akeA-4lmaA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.32A 2akeA-4lmbA:
undetectable		 2akeA-4lmbA:
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.
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
 1.32A 2akeA-4rl6A:
4.0		 2akeA-4rl6A:
23.19
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.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		5 THR A  57
GLY A  50
ILE A 178
GLN A 182
PHE A 174
 None
 1.43A 2akeA-4uugA:
undetectable		 2akeA-4uugA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 2akeA-4xybA:
undetectable		 2akeA-4xybA:
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.
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
 1.21A 2akeA-4yjfB:
undetectable		 2akeA-4yjfB:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.98A 2akeA-4z11A:
undetectable		 2akeA-4z11A:
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.
5a0m INTRON-ENCODED
ENDONUCLEASE I-SCEI

(Saccharomyces
cerevisiae) 		PF03161
(LAGLIDADG_2) 		5 THR A 403
GLY A 400
LYS A 386
CYH A 357
GLN A 359
 None
 1.32A 2akeA-5a0mA:
undetectable		 2akeA-5a0mA:
20.16
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		5 TYR A 378
THR A 387
GLY A 388
GLY A 392
PHE A 375
 None
TRS  A7002 (-3.9A)
None
None
None
 1.28A 2akeA-5a2rA:
undetectable		 2akeA-5a2rA:
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.
5e2f BETA-LACTAMASE YBXI

(Bacillus
subtilis) 		PF00905
(Transpeptidase) 		5 THR A 242
GLY A 216
THR A  77
GLN A 175
ILE A  51
 None
EDO  A 303 (-3.5A)
None
None
None
 1.31A 2akeA-5e2fA:
undetectable		 2akeA-5e2fA:
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.
5fyg CYTOCHROME P450

(Marinobacter
hydrocarbonoclasticus) 		PF00067
(p450) 		5 GLY A 240
GLY A 234
GLU A 242
GLN A 456
PHE A  78
 None
 1.44A 2akeA-5fygA:
undetectable		 2akeA-5fygA:
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 THR A 844
GLY A 737
GLN A 739
ILE A 741
PHE A 820
 None
 1.35A 2akeA-5m5pA:
3.3		 2akeA-5m5pA:
10.91
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 TYR A 253
THR A 252
GLY A 235
GLY A 231
GLU A 228
 None
 1.28A 2akeA-5n94A:
undetectable		 2akeA-5n94A:
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.
5nfr MALATE DEHYDROGENASE

(Plasmodium
falciparum) 		no annotation 5 TYR A 294
GLY A 172
GLY A 144
THR A 252
ILE A 298
 None
 1.21A 2akeA-5nfrA:
undetectable		 2akeA-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
 1.19A 2akeA-5wtpA:
undetectable		 2akeA-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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 THR A 556
GLY A 557
GLY A 522
THR A 434
GLU A 519
 None
 1.34A 2akeA-5xxoA:
2.4		 2akeA-5xxoA:
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.
6g21 PROBABLE FERULOYL
ESTERASE B-2

(Aspergillus
oryzae) 		no annotation 5 TYR A 165
THR A  87
GLY A  88
GLY A  90
THR A 170
 None
 1.23A 2akeA-6g21A:
undetectable		 2akeA-6g21A:
undetectable