SIMILAR PATTERNS OF AMINO ACIDS FOR 3APW_B_DP0B190

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.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 PHE A 146
LEU A 123
GLU A 143
ARG A 141
TYR A  63
 None
 1.42A 3apwB-1dppA:
0.0		 3apwB-1dppA:
16.04
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.
1eio ILEAL LIPID BINDING
PROTEIN

(Sus scrofa) 		PF14651
(Lipocalin_7) 		5 ILE A  74
PHE A  17
ARG A 121
ALA A 101
TYR A  97
 GCH  A 128 ( 3.1A)
None
GCH  A 128 ( 4.3A)
GCH  A 128 ( 4.2A)
GCH  A 128 (-3.1A)
 1.15A 3apwB-1eioA:
3.1		 3apwB-1eioA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gw1 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		5 ILE A 328
PHE A  75
ALA A 100
PHE A 396
TYR A 338
 None
 0.99A 3apwB-1gw1A:
0.0		 3apwB-1gw1A:
16.07
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.
1h4l CELL DIVISION
PROTEIN KINASE 5

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A  80
LEU A  66
ALA A 148
SER A  47
TYR A  15
 None
 1.44A 3apwB-1h4lA:
0.0		 3apwB-1h4lA:
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.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 VAL A 366
ILE A 370
PHE A 176
PHE A 160
ALA A 327
 None
 1.19A 3apwB-1hlgA:
0.0		 3apwB-1hlgA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ixr HOLLIDAY JUNCTION
DNA HELICASE RUVA

(Thermus
thermophilus) 		PF01330
(RuvA_N)
PF14520
(HHH_5) 		5 PHE A  71
PHE A  62
LEU A  68
GLU A  72
ARG A   3
 None
 1.39A 3apwB-1ixrA:
undetectable		 3apwB-1ixrA:
19.07
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.
1j3e SEQA PROTEIN

(Escherichia
coli) 		PF03925
(SeqA) 		5 ILE A 109
PHE A  56
LEU A  48
GLN A 100
PHE A  26
 None
 1.06A 3apwB-1j3eA:
0.0		 3apwB-1j3eA:
21.51
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.
1k8q TRIACYLGLYCEROL
LIPASE, GASTRIC

(Canis lupus) 		PF00561
(Abhydrolase_1) 		5 VAL A 366
ILE A 370
PHE A 176
PHE A 160
ALA A 327
 None
 1.13A 3apwB-1k8qA:
0.0		 3apwB-1k8qA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 619
GLU A 621
GLN A 640
ARG A 107
ALA A 908
 None
 1.07A 3apwB-1kqfA:
undetectable		 3apwB-1kqfA:
11.74
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.
1lea LEXA REPRESSOR DNA
BINDING DOMAIN

(Escherichia
coli) 		PF01726
(LexA_DNA_bind) 		5 VAL A  55
ILE A  56
PHE A  37
LEU A  35
ALA A   6
 None
 1.14A 3apwB-1leaA:
undetectable		 3apwB-1leaA:
15.05
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.
1ph5 TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		5 VAL A 319
LEU A 236
GLU A 242
PHE A 471
SER A 329
 None
 1.20A 3apwB-1ph5A:
undetectable		 3apwB-1ph5A:
18.40
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.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, A
CHAIN PRECURSOR
COMPLEMENT C1Q
SUBCOMPONENT, C
CHAIN PRECURSOR

(Homo sapiens) 		PF00386
(C1q) 		5 PHE C 212
LEU C 214
GLN C  91
ALA A  94
PHE A 217
 None
 1.37A 3apwB-1pk6C:
undetectable		 3apwB-1pk6C:
16.40
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.
1pzt BETA-1,4-GALACTOSYLT
RANSFERASE 1

(Bos taurus) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		5 VAL A 396
ILE A 398
PHE A 301
LEU A 375
ALA A 239
 None
 1.25A 3apwB-1pztA:
undetectable		 3apwB-1pztA:
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.
1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 PHE A 407
PHE A 413
LEU A 411
ALA A 388
PHE A 396
 None
 1.45A 3apwB-1rxtA:
undetectable		 3apwB-1rxtA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1skx ORPHAN NUCLEAR
RECEPTOR PXR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 369
LEU A 342
ALA A 157
SER A 262
TYR A 263
 None
 1.38A 3apwB-1skxA:
undetectable		 3apwB-1skxA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tue REPLICATION PROTEIN
E1

(Alphapapillomavirus
7) 		PF00519
(PPV_E1_C) 		5 ILE A 433
PHE A 482
LEU A 570
ALA A 466
PHE A 463
 None
 1.46A 3apwB-1tueA:
undetectable		 3apwB-1tueA:
21.40
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.
1urd MALTOSE-BINDING
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01547
(SBP_bac_1) 		5 ILE A 376
PHE A 171
PHE A 162
ALA A 281
TYR A 173
 None
 1.44A 3apwB-1urdA:
undetectable		 3apwB-1urdA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vzy 33 KDA CHAPERONIN

(Bacillus
subtilis) 		PF01430
(HSP33) 		5 VAL A 157
ILE A 176
PHE A 128
GLU A 151
GLN A 178
 None
 1.35A 3apwB-1vzyA:
undetectable		 3apwB-1vzyA:
21.92
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.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		5 VAL A 402
ILE A 389
LEU A 233
GLN A 358
PHE A 228
 SRP  A 900 (-4.4A)
None
None
None
None
 1.46A 3apwB-1wleA:
undetectable		 3apwB-1wleA:
17.56
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.
1yb4 TARTRONIC
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 VAL A  69
ILE A  95
PHE A 149
GLN A 166
PHE A  60
 None
 1.38A 3apwB-1yb4A:
undetectable		 3apwB-1yb4A:
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.
1yy3 S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE

(Bacillus
subtilis) 		PF02547
(Queuosine_synth) 		5 ILE A 154
PHE A 110
PHE A 132
LEU A 115
ALA A  66
 None
 1.45A 3apwB-1yy3A:
undetectable		 3apwB-1yy3A:
18.60
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.
1zel HYPOTHETICAL PROTEIN
RV2827C

(Mycobacterium
tuberculosis) 		PF09407
(AbiEi_1)
PF13338
(AbiEi_4) 		5 VAL A   1
PHE A  99
LEU A 175
ARG A  88
ALA A  92
 None
 1.11A 3apwB-1zelA:
undetectable		 3apwB-1zelA:
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 VAL A 355
ILE A 361
LEU A 449
GLN A 324
SER A 316
 None
 1.16A 3apwB-2dkdA:
undetectable		 3apwB-2dkdA:
16.05
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.
2f5a PROTEIN (ANTIBODY
2F5 (HEAVY CHAIN))

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H  12
ILE H 130
LEU H  65
ARG H  68
TYR H  95
 None
 1.44A 3apwB-2f5aH:
undetectable		 3apwB-2f5aH:
17.36
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.
2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 ILE A 202
PHE A 150
LEU A 132
SER A 160
TYR A 152
 None
 1.32A 3apwB-2fncA:
undetectable		 3apwB-2fncA:
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.
2g3w HYPOTHETICAL PROTEIN
XAC2396

(Xanthomonas
citri) 		PF07152
(YaeQ) 		5 VAL A 161
ILE A 156
PHE A  47
PHE A  57
LEU A  69
 None
 1.43A 3apwB-2g3wA:
undetectable		 3apwB-2g3wA:
19.17
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.
2g6y GREEN FLUORESCENT
PROTEIN 2

(Pontellina
plumata) 		PF01353
(GFP) 		5 ILE A 132
PHE A 121
LEU A  14
SER A 168
TYR A  91
 None
 1.46A 3apwB-2g6yA:
undetectable		 3apwB-2g6yA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gqf HYPOTHETICAL PROTEIN
HI0933

(Haemophilus
influenzae) 		PF03486
(HI0933_like) 		5 VAL A  87
ILE A  92
GLN A 110
ALA A  14
PHE A 384
 None
None
None
FAD  A 403 (-3.7A)
FAD  A 403 (-3.7A)
 1.29A 3apwB-2gqfA:
undetectable		 3apwB-2gqfA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gqf HYPOTHETICAL PROTEIN
HI0933

(Haemophilus
influenzae) 		PF03486
(HI0933_like) 		5 VAL A  87
ILE A  92
LEU A  44
GLN A 110
PHE A 384
 None
None
None
None
FAD  A 403 (-3.7A)
 1.38A 3apwB-2gqfA:
undetectable		 3apwB-2gqfA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfy PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03480
(DctP) 		5 PHE A  23
GLU A  26
GLN A  22
SER A 118
TYR A 116
 None
 1.45A 3apwB-2pfyA:
undetectable		 3apwB-2pfyA:
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		5 PHE A 285
PHE A 203
ALA A 211
PHE A 212
TYR A 229
 None
 1.36A 3apwB-2q01A:
undetectable		 3apwB-2q01A:
18.27
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 ILE A 308
PHE A 166
LEU A 162
ALA A 261
SER A 304
 None
 1.37A 3apwB-2quaA:
undetectable		 3apwB-2quaA:
14.17
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.
2r0s CHROMATIN
STRUCTURE-REMODELING
COMPLEX PROTEIN RSC4

(Saccharomyces
cerevisiae) 		PF00439
(Bromodomain) 		5 ILE A 289
LEU A  48
GLU A  47
GLN A 290
PHE A 153
 None
 1.40A 3apwB-2r0sA:
undetectable		 3apwB-2r0sA:
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ILE A 344
LEU A 303
GLU A 340
PHE A 259
TYR A 264
 None
 1.46A 3apwB-2xgtA:
undetectable		 3apwB-2xgtA:
16.55
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 PHE A 556
PHE A 195
LEU A 193
ARG A 207
TYR A 552
 None
 1.44A 3apwB-2yfnA:
undetectable		 3apwB-2yfnA:
13.88
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.
2z37 CHITINASE

(Brassica juncea) 		PF00182
(Glyco_hydro_19) 		5 PHE A 206
PHE A 156
LEU A 160
ALA A 296
PHE A 297
 None
 1.25A 3apwB-2z37A:
undetectable		 3apwB-2z37A:
15.20
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.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		5 ILE A 279
PHE A 267
LEU A  78
PHE A 220
TYR A 224
 None
 1.46A 3apwB-2z61A:
undetectable		 3apwB-2z61A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		5 VAL A 725
ILE A 728
PHE A 862
ALA A 876
PHE A 895
 None
 1.39A 3apwB-3a6pA:
undetectable		 3apwB-3a6pA:
9.91
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermotoga
maritima) 		PF01425
(Amidase) 		5 ILE A 238
PHE A  58
LEU A  15
GLU A  12
ALA A 156
 None
 1.41A 3apwB-3al0A:
undetectable		 3apwB-3al0A:
14.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3apu ALPHA-1-ACID
GLYCOPROTEIN 2

(Homo sapiens) 		PF00061
(Lipocalin) 		12 VAL A  41
ILE A  44
PHE A  49
PHE A  51
LEU A  62
GLU A  64
GLN A  66
ARG A  90
ALA A  99
PHE A 112
SER A 125
TYR A 127
 PG4  A 190 (-4.9A)
None
PG4  A 190 ( 4.1A)
None
None
PG4  A 190 (-4.1A)
None
PG4  A 190 (-4.3A)
PG4  A 190 ( 4.2A)
PG4  A 190 ( 3.9A)
PG4  A 190 ( 3.7A)
None
 0.66A 3apwB-3apuA:
31.9		 3apwB-3apuA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cm5 CELL DEATH-RELATED
NUCLEASE 4

(Caenorhabditis
elegans) 		PF00929
(RNase_T) 		5 ILE A 188
PHE A 108
PHE A 135
LEU A 116
PHE A  34
 None
 1.26A 3apwB-3cm5A:
undetectable		 3apwB-3cm5A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 GLU A 658
ARG A 730
ALA A 757
PHE A 735
TYR A 636
 None
 1.45A 3apwB-3cttA:
undetectable		 3apwB-3cttA:
12.76
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		5 VAL A 465
ILE A 405
LEU A 134
GLU A 396
ARG A 470
 None
 1.32A 3apwB-3d3aA:
undetectable		 3apwB-3d3aA:
14.33
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.
3e9d ZGC:56074

(Danio rerio) 		PF00300
(His_Phos_1) 		5 VAL A 242
PHE A 140
LEU A 136
ALA A 178
PHE A   4
 None
 1.20A 3apwB-3e9dA:
undetectable		 3apwB-3e9dA:
21.77
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.
3eu8 PUTATIVE
GLUCOAMYLASE

(Bacteroides
fragilis) 		PF10091
(Glycoamylase)
PF11329
(DUF3131) 		5 PHE A 158
GLU A 155
ALA A 336
PHE A 280
TYR A 284
 None
 1.31A 3apwB-3eu8A:
undetectable		 3apwB-3eu8A:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g2p PCZA361.24

(Amycolatopsis
orientalis) 		PF13649
(Methyltransf_25) 		5 LEU A 171
GLN A 237
ALA A 270
SER A 245
TYR A 154
 None
 1.45A 3apwB-3g2pA:
undetectable		 3apwB-3g2pA:
18.94
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 PHE A 301
LEU A 223
GLU A 305
ARG A 149
TYR A 286
 PHE  A 301 ( 1.3A)
LEU  A 223 ( 0.5A)
GLU  A 305 ( 0.6A)
ARG  A 149 ( 0.6A)
TYR  A 286 ( 1.3A)
 1.43A 3apwB-3gnrA:
undetectable		 3apwB-3gnrA:
16.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		9 VAL A  41
ILE A  44
PHE A  49
PHE A  51
LEU A  62
GLN A  66
ARG A  90
SER A 125
TYR A 127
 None
None
JIM  A 193 (-3.8A)
None
None
None
JIM  A 193 (-4.3A)
None
None
 0.74A 3apwB-3kq0A:
27.6		 3apwB-3kq0A:
86.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		10 VAL A  41
ILE A  44
PHE A  49
PHE A  51
LEU A  62
GLU A  64
ARG A  90
ALA A  99
SER A 125
TYR A 127
 None
None
JIM  A 193 (-3.8A)
None
None
None
JIM  A 193 (-4.3A)
JIM  A 193 ( 4.0A)
None
None
 0.64A 3apwB-3kq0A:
27.6		 3apwB-3kq0A:
86.24
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		5 PHE A 107
GLN A 102
PHE A 127
SER A  52
TYR A  50
 None
 1.17A 3apwB-3ldfA:
undetectable		 3apwB-3ldfA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxq UNCHARACTERIZED
PROTEIN VP1736

(Vibrio
parahaemolyticus) 		PF00884
(Sulfatase) 		5 ILE A 553
PHE A 499
PHE A 484
LEU A 290
PHE A 430
 None
 1.28A 3apwB-3lxqA:
undetectable		 3apwB-3lxqA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mx3 SUSD HOMOLOG

(Bacteroides
fragilis) 		PF12771
(SusD-like_2) 		5 ILE A 315
PHE A 432
GLN A  78
ALA A 259
PHE A 327
 None
 1.34A 3apwB-3mx3A:
undetectable		 3apwB-3mx3A:
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.
3oo9 ABC TRANSPORTER
BINDING PROTEIN ACBH

(Actinoplanes
sp. SE50/110) 		PF01547
(SBP_bac_1) 		5 VAL A  98
ILE A  95
PHE A  21
PHE A  34
ALA A 316
 None
 1.42A 3apwB-3oo9A:
undetectable		 3apwB-3oo9A:
17.02
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 PHE A  59
PHE A 282
LEU A 251
GLN A  57
TYR A  63
 None
None
None
None
ADE  A 328 (-4.0A)
 1.23A 3apwB-3paoA:
undetectable		 3apwB-3paoA:
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.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 VAL A  71
ILE A  97
PHE A 151
GLN A 168
SER A  63
 None
 1.39A 3apwB-3q3cA:
undetectable		 3apwB-3q3cA:
18.51
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 PHE A  62
PHE A 285
LEU A 254
GLN A  60
TYR A  66
 None
None
None
None
ADE  A 345 (-4.0A)
 1.24A 3apwB-3rysA:
undetectable		 3apwB-3rysA:
18.84
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.
3sdi PROTEASOME COMPONENT
PRE5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ILE E  31
LEU E 160
GLU E 150
GLN E 152
ALA E 172
 None
 1.31A 3apwB-3sdiE:
undetectable		 3apwB-3sdiE:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sq7 TYROSYL-DNA
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF06087
(Tyr-DNA_phospho) 		5 ILE A 103
PHE A  82
ALA A 431
SER A 201
TYR A 461
 None
 1.36A 3apwB-3sq7A:
undetectable		 3apwB-3sq7A:
16.99
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 LEU A 155
GLU A 238
ARG A 204
ALA A 201
PHE A 190
 None
 1.35A 3apwB-3u5uA:
undetectable		 3apwB-3u5uA:
16.70
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.
3urr PTS IIA-LIKE
NITROGEN-REGULATORY
PROTEIN PTSN

(Burkholderia
thailandensis) 		PF00359
(PTS_EIIA_2) 		5 ILE A 120
PHE A 102
PHE A  26
LEU A  48
PHE A  89
 None
 1.34A 3apwB-3urrA:
undetectable		 3apwB-3urrA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0f CD81 ANTIGEN

(Mus musculus) 		no annotation 5 LEU A 154
GLN A 188
ALA A 120
PHE A 198
SER A 199
 None
 1.44A 3apwB-3x0fA:
undetectable		 3apwB-3x0fA:
15.51
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.
4bjt DNA-BINDING PROTEIN
RAP1

(Saccharomyces
cerevisiae) 		PF11626
(Rap1_C) 		5 VAL A 783
ILE A 786
PHE A 716
LEU A 720
PHE A 773
 None
 1.42A 3apwB-4bjtA:
undetectable		 3apwB-4bjtA:
21.24
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 PHE A 580
LEU A 579
GLU A 544
ALA A 510
PHE A 539
 None
 1.34A 3apwB-4bp8A:
undetectable		 3apwB-4bp8A:
13.50
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ILE A 832
PHE A 482
PHE A 471
LEU A 466
SER A 452
 None
 1.38A 3apwB-4bqiA:
undetectable		 3apwB-4bqiA:
12.40
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.
4exp MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR

(Mus musculus) 		PF00047
(ig) 		5 LEU X 248
ARG X 261
ALA X 226
PHE X 233
SER X 281
 None
 1.28A 3apwB-4expX:
undetectable		 3apwB-4expX:
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.
4fk8 FERREDOXIN--NADP
REDUCTASE

(Burkholderia
thailandensis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 PHE A  82
LEU A  34
GLU A 164
ALA A 268
SER A 129
 None
 1.42A 3apwB-4fk8A:
undetectable		 3apwB-4fk8A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 PHE A 154
GLU A 151
ALA A 330
PHE A 275
TYR A 279
 None
TRS  A 500 (-3.3A)
TRS  A 500 ( 4.1A)
TRS  A 500 (-4.3A)
None
 1.37A 3apwB-4gl3A:
undetectable		 3apwB-4gl3A:
18.20
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.
4gqt HEAT SHOCK PROTEIN
90

(Caenorhabditis
elegans) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 PHE A 126
GLN A 149
ALA A 133
PHE A 130
SER A 153
 None
 1.27A 3apwB-4gqtA:
undetectable		 3apwB-4gqtA:
22.51
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.
4hk9 ENDO-1,4-BETA-XYLANA
SE 2

(Trichoderma
reesei) 		PF00457
(Glyco_hydro_11) 		5 VAL A 150
ILE A  60
LEU A 166
GLN A 172
ALA A 158
 None
 1.25A 3apwB-4hk9A:
undetectable		 3apwB-4hk9A:
19.16
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.
4is8 NUCLEAR RECEPTOR
SUBFAMILY 5 GROUP A
MEMBER 2

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 VAL A 318
ILE A 322
LEU A 531
GLN A 351
ALA A 360
 None
 1.14A 3apwB-4is8A:
undetectable		 3apwB-4is8A:
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.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		5 VAL A 442
ILE A 382
LEU A 109
GLU A 373
ARG A 447
 None
 1.33A 3apwB-4madA:
undetectable		 3apwB-4madA:
15.00
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.
4mhc NUCLEOPORIN NUP157

(Saccharomyces
cerevisiae) 		PF08801
(Nucleoporin_N) 		5 VAL A 555
PHE A 590
ALA A 134
SER A 634
TYR A 635
 None
 1.40A 3apwB-4mhcA:
undetectable		 3apwB-4mhcA:
13.27
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.
4mst CLASS I CHITINASE

(Hevea
brasiliensis) 		PF00182
(Glyco_hydro_19) 		5 PHE A 111
LEU A  65
ALA A  83
PHE A 201
SER A 200
 None
 1.38A 3apwB-4mstA:
undetectable		 3apwB-4mstA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT B,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF02934
(GatB_N) 		5 PHE B  46
PHE B 103
LEU B  78
GLN B  48
ALA B  86
 None
 1.43A 3apwB-4n0iB:
undetectable		 3apwB-4n0iB:
18.52
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.
4pia AUTOLYSIN E

(Staphylococcus
aureus) 		PF01832
(Glucosaminidase) 		5 ILE A 234
PHE A 117
LEU A 104
ALA A 147
PHE A 160
 None
 1.17A 3apwB-4piaA:
undetectable		 3apwB-4piaA:
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.
4q8r PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		5 VAL A 197
ILE A 243
LEU A 209
GLU A  75
ALA A 134
 None
 1.19A 3apwB-4q8rA:
undetectable		 3apwB-4q8rA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		5 PHE A 168
GLU A 165
ALA A 346
PHE A 290
TYR A 294
 None
ACT  A 501 (-4.1A)
None
ACT  A 501 ( 4.9A)
None
 1.27A 3apwB-4qt9A:
undetectable		 3apwB-4qt9A:
18.45
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.
4r7q SENSOR HISTIDINE
KINASE

(Vibrio cholerae) 		PF11884
(DUF3404) 		5 ILE A  44
LEU A 234
ALA A 191
PHE A 199
SER A 197
 None
None
None
None
SO4  A 302 (-2.4A)
 1.46A 3apwB-4r7qA:
undetectable		 3apwB-4r7qA:
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.
4xq7 2'-5'-OLIGOADENYLATE
SYNTHASE-LIKE
PROTEIN

(Homo sapiens) 		PF10421
(OAS1_C) 		5 PHE A 191
ALA A 180
PHE A  94
SER A  93
TYR A 157
 CME  A 188 ( 4.4A)
None
CME  A 188 ( 3.6A)
None
None
 1.33A 3apwB-4xq7A:
undetectable		 3apwB-4xq7A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3n ANTI-H4K20ME1_SCFV

(Mus musculus) 		PF07686
(V-set) 		5 VAL A 151
ILE A 248
GLU A 223
ARG A 203
TYR A 228
 None
 1.24A 3apwB-5b3nA:
undetectable		 3apwB-5b3nA:
21.62
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.
5bz0 REPLICASE
POLYPROTEIN 1AB

(Avian
coronavirus) 		PF08715
(Viral_protease) 		5 PHE A 136
PHE A 117
LEU A 110
ALA A 159
SER A 143
 None
 1.46A 3apwB-5bz0A:
undetectable		 3apwB-5bz0A:
18.53
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 VAL A 781
ILE A 783
PHE A 761
LEU A 649
GLN A 760
 None
 1.24A 3apwB-5dkxA:
undetectable		 3apwB-5dkxA:
11.15
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		5 VAL A 155
PHE A 374
LEU A  48
SER A  35
TYR A 169
 None
 1.43A 3apwB-5du9A:
undetectable		 3apwB-5du9A:
15.56
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		5 VAL A1552
ILE A1416
ARG A1566
ALA A1179
PHE A1568
 None
 1.31A 3apwB-5gutA:
undetectable		 3apwB-5gutA:
12.65
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 VAL A 745
ILE A 750
LEU A 669
ALA A 698
PHE A 697
 None
 1.44A 3apwB-5gz4A:
undetectable		 3apwB-5gz4A:
10.35
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		5 PHE A 265
LEU A 267
GLN A 144
ALA A   7
PHE A 130
 None
 1.31A 3apwB-5hkjA:
undetectable		 3apwB-5hkjA:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hop LMO0182 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 PHE A   4
LEU A   7
GLU A  40
ALA A  96
PHE A 150
 None
 1.47A 3apwB-5hopA:
undetectable		 3apwB-5hopA:
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.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA

(Human
coronavirus
HKU1;
Human
immunodeficiency
virus 1) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 VAL A 237
ILE A 124
PHE A 103
LEU A 261
PHE A  74
 None
 1.36A 3apwB-5i08A:
undetectable		 3apwB-5i08A:
8.48
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.
5jdx PUTATIVE PEPTIDYL
CARRIER PROTEIN

(Serratia sp.) 		no annotation 5 PHE A  64
GLU A  58
GLN A  83
ARG A  76
SER A  50
 None
 1.40A 3apwB-5jdxA:
undetectable		 3apwB-5jdxA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa) 		PF10609
(ParA) 		5 VAL A  79
PHE A 114
PHE A 266
LEU A 124
ALA A  47
 None
 1.28A 3apwB-5jvfA:
undetectable		 3apwB-5jvfA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k2y PROBABLE PERIPLASMIC
SUGAR-BINDING
LIPOPROTEIN USPC

(Mycobacterium
tuberculosis) 		PF01547
(SBP_bac_1) 		5 VAL A 320
ILE A 394
PHE A 249
PHE A 417
LEU A 252
 None
 1.30A 3apwB-5k2yA:
undetectable		 3apwB-5k2yA:
18.14
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.
5nno ALDEHYDE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF00171
(Aldedh) 		5 PHE A 291
LEU A 292
GLU A 339
ARG A 283
ALA A 255
 None
 1.46A 3apwB-5nnoA:
undetectable		 3apwB-5nnoA:
15.10
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ILE A 432
PHE A 465
LEU A 536
GLN A 461
TYR A 379
 None
 1.32A 3apwB-5opjA:
undetectable		 3apwB-5opjA:
20.36
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.
5tj6 HIGH CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL

(Aplysia
californica) 		PF00520
(Ion_trans)
PF03493
(BK_channel_a) 		5 PHE A 482
LEU A 478
GLN A 448
ALA A 943
PHE A 500
 None
 1.33A 3apwB-5tj6A:
undetectable		 3apwB-5tj6A:
9.50
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.
5uiv BIFUNCTIONAL
THYMIDYLATE/URIDYLAT
E KINASE

(Candida
albicans) 		PF02223
(Thymidylate_kin) 		5 LEU A  51
GLU A 159
ARG A  39
SER A  96
TYR A 100
 TMP  A 301 (-4.5A)
TMP  A 301 ( 4.5A)
TMP  A 301 (-3.9A)
TMP  A 301 ( 4.7A)
TMP  A 301 (-3.6A)
 1.42A 3apwB-5uivA:
undetectable		 3apwB-5uivA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ys3 SUCCINATE-ACETATE
PERMEASE

(Citrobacter
koseri) 		no annotation 5 PHE A 135
LEU A 134
ALA A 164
PHE A  17
TYR A  72
 ACT  A 202 (-4.2A)
ACT  A 202 (-4.9A)
None
ACT  A 203 ( 3.6A)
ACT  A 203 (-4.0A)
 1.44A 3apwB-5ys3A:
undetectable		 3apwB-5ys3A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 VAL A 465
ILE A 405
LEU A 134
GLU A 396
ARG A 470
 None
 1.30A 3apwB-6eonA:
undetectable		 3apwB-6eonA:
12.33
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.
6ey4 GLDM

(Flavobacterium
johnsoniae) 		no annotation 5 VAL A 218
ILE A 164
PHE A 172
SER A  86
TYR A 147
 None
 1.26A 3apwB-6ey4A:
undetectable		 3apwB-6ey4A:
14.95
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 VAL A 746
ILE A 749
PHE A 380
LEU A 376
SER A 725
 None
 1.36A 3apwB-6ez8A:
undetectable		 3apwB-6ez8A:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 VAL A1171
PHE A1163
LEU A1031
ALA A1016
TYR A1162
 None
 1.32A 3apwB-6fikA:
undetectable		 3apwB-6fikA:
15.79