SIMILAR PATTERNS OF AMINO ACIDS FOR 2PLW_A_SAMA203_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.
1ahs AFRICAN HORSE
SICKNESS VIRUS
(SEROTYPE 4) VP7

(African horse
sickness virus) 		PF00897
(Orbi_VP7) 		5 GLY A 131
TYR A 129
PRO A 128
GLY A 127
GLU A 134
 None
 0.99A 2plwA-1ahsA:
undetectable		 2plwA-1ahsA:
18.00
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.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus) 		PF01177
(Asp_Glu_race) 		5 ALA A 248
GLY A  56
GLU A  84
ALA A  55
LEU A  81
 None
 1.10A 2plwA-1b74A:
undetectable		 2plwA-1b74A:
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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 325
GLY A  16
LYS A  40
GLU A 118
LEU A 281
 FAD  A 462 ( 3.7A)
FAD  A 462 (-3.4A)
FAD  A 462 (-4.1A)
None
None
 0.78A 2plwA-1ebdA:
3.2		 2plwA-1ebdA:
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		6 ALA A  35
GLY A  59
PRO A  62
GLY A  63
TRP A  65
LEU A 143
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
 0.61A 2plwA-1eizA:
24.7		 2plwA-1eizA:
28.86
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.
1ewr DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 ALA A 715
GLY A 738
GLY A 583
ALA A 742
LEU A 747
 None
 1.09A 2plwA-1ewrA:
undetectable		 2plwA-1ewrA:
13.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8w NADH PEROXIDASE

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 302
GLY A   7
LYS A  33
GLU A  78
ILE A  79
 FAD  A 448 ( 3.7A)
FAD  A 448 (-3.2A)
FAD  A 448 (-4.6A)
None
FAD  A 448 (-4.4A)
 1.06A 2plwA-1f8wA:
3.8		 2plwA-1f8wA:
18.02
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		5 GLY A  11
PRO A 104
GLY A 105
ALA A  15
LEU A  65
 FAD  A 699 (-3.5A)
FAD  A 699 (-4.5A)
FAD  A 699 (-3.6A)
None
None
 0.70A 2plwA-1fcdA:
2.5		 2plwA-1fcdA:
16.83
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.
1gud D-ALLOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 ALA A  80
TYR A  86
ILE A  23
ALA A  64
LEU A  90
 None
 1.11A 2plwA-1gudA:
undetectable		 2plwA-1gudA:
22.74
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.
1jhz PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 ALA A  72
GLY A 246
PRO A 187
ILE A 272
LEU A 287
 None
 1.01A 2plwA-1jhzA:
undetectable		 2plwA-1jhzA:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 ALA A  60
PRO A  55
GLY A  56
GLU A  88
ILE A  87
 None
 1.01A 2plwA-1l5jA:
undetectable		 2plwA-1l5jA:
11.92
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.
1n7u ADSORPTION PROTEIN
P2

(Salmonella
virus PRD1) 		PF09214
(Prd1-P2) 		5 GLY A 468
TYR A  44
GLY A  47
ILE A 432
ALA A 477
 None
 1.04A 2plwA-1n7uA:
undetectable		 2plwA-1n7uA:
14.54
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.
1nhw ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		5 ALA A 116
GLY A 106
GLY A 110
TRP A 113
ILE A 137
 None
NAD  A 450 (-3.8A)
NAD  A 450 (-3.3A)
None
None
 1.10A 2plwA-1nhwA:
2.9		 2plwA-1nhwA:
27.13
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.
1ox4 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
HISHF

(Saccharomyces
cerevisiae) 		PF00117
(GATase)
PF00977
(His_biosynth) 		5 ALA B 346
GLY B 364
GLY B 332
ALA B 367
LEU B 454
 None
SO4  B 804 (-3.8A)
SO4  B 804 ( 4.8A)
None
None
 1.01A 2plwA-1ox4B:
undetectable		 2plwA-1ox4B:
17.97
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.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 ALA A  84
GLY A  80
GLY A  66
ALA A 294
LEU A 313
 None
 1.02A 2plwA-1pc3A:
undetectable		 2plwA-1pc3A:
18.54
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ALA C 122
GLY C 113
ILE C  29
ALA C 116
LEU C 160
 FAD  C4931 (-3.1A)
FAD  C4931 (-3.3A)
FAD  C4931 (-3.7A)
FAD  C4931 (-3.1A)
FAD  C4931 (-4.9A)
 0.98A 2plwA-1t3qC:
undetectable		 2plwA-1t3qC:
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 ALA A 218
GLY A 170
PRO A 321
GLY A 320
LEU A 106
 None
 1.05A 2plwA-1thgA:
undetectable		 2plwA-1thgA:
17.04
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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 103
PRO A 127
GLY A 126
ALA A 104
LEU A  68
 None
 0.95A 2plwA-1tuoA:
undetectable		 2plwA-1tuoA:
14.10
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 GLY A  76
GLY A  87
ILE A 184
ALA A  77
LEU A 124
 None
 1.08A 2plwA-1u1hA:
undetectable		 2plwA-1u1hA:
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.
1xe4 FEMX

(Weissella
viridescens) 		PF02388
(FemAB) 		5 GLY A  76
GLY A  24
GLU A 319
ILE A 320
ALA A  73
 None
 0.99A 2plwA-1xe4A:
undetectable		 2plwA-1xe4A:
19.28
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.
1ysp TRANSCRIPTIONAL
REGULATOR KDGR

(Escherichia
coli) 		PF01614
(IclR) 		5 ALA A  67
GLY A 137
GLY A 110
ALA A 136
LEU A   3
 None
 1.09A 2plwA-1yspA:
undetectable		 2plwA-1yspA:
21.50
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.
1yxm PEROXISOMAL TRANS
2-ENOYL COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ALA A  58
GLY A  25
GLY A  29
ALA A  48
LEU A  90
 None
 1.01A 2plwA-1yxmA:
8.8		 2plwA-1yxmA:
20.39
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.
1yxm PEROXISOMAL TRANS
2-ENOYL COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  25
GLY A  29
ILE A  81
ALA A  48
LEU A  90
 None
 1.01A 2plwA-1yxmA:
8.8		 2plwA-1yxmA:
20.39
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.
2d13 HYPOTHETICAL PROTEIN
PH1257

(Pyrococcus
horikoshii) 		PF01902
(Diphthami_syn_2) 		5 ALA A 181
GLY A 184
GLU A 109
ILE A 108
ALA A  98
 None
 1.06A 2plwA-2d13A:
4.2		 2plwA-2d13A:
21.54
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ALA A 229
GLY A 282
GLY A 225
ALA A 281
LEU A  49
 ATP  A 411 ( 4.9A)
ATP  A 411 (-3.4A)
ATP  A 411 (-3.5A)
None
None
 1.05A 2plwA-2f02A:
4.9		 2plwA-2f02A:
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.
2foi ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		5 ALA A 116
GLY A 106
GLY A 110
TRP A 113
ILE A 137
 None
NAD  A 450 (-3.6A)
NAD  A 450 (-3.2A)
None
None
 1.08A 2plwA-2foiA:
3.8		 2plwA-2foiA:
25.83
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 ALA A 382
GLY A 335
GLY A 373
ALA A 333
LEU A 349
 None
 0.98A 2plwA-2hg4A:
undetectable		 2plwA-2hg4A:
9.20
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ALA A 941
GLY A 890
PRO A 870
LYS A 881
LEU A 906
 None
 1.09A 2plwA-2hpiA:
undetectable		 2plwA-2hpiA:
9.70
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.
2kxp F-ACTIN-CAPPING
PROTEIN SUBUNIT BETA
ISOFORMS 1 AND 2

(Gallus gallus) 		PF01115
(F_actin_cap_B) 		5 ALA B 400
GLY B 430
TYR B 420
ALA B 429
LEU B 424
 None
 1.11A 2plwA-2kxpB:
undetectable		 2plwA-2kxpB:
20.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A  30
PRO A  33
GLY A  34
TRP A  36
LEU A 123
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.4A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.9A)
None
 0.43A 2plwA-2nyuA:
25.7		 2plwA-2nyuA:
33.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		12 ALA A   6
GLY A  30
TYR A  32
PRO A  33
GLY A  34
TRP A  36
LYS A  56
LYS A  57
GLU A  71
ILE A  72
ALA A 114
LEU A 132
 SAM  A 203 (-3.5A)
SAM  A 203 (-3.4A)
None
SAM  A 203 (-3.5A)
SAM  A 203 (-3.6A)
SAM  A 203 (-3.8A)
None
SAM  A 203 (-3.2A)
SAM  A 203 (-4.9A)
SAM  A 203 (-4.4A)
SAM  A 203 (-3.6A)
SAM  A 203 (-4.9A)
 0.00A 2plwA-2plwA:
38.5		 2plwA-2plwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		6 ALA A   6
TYR A  32
PRO A  33
LYS A  56
LYS A  57
ALA A 115
 SAM  A 203 (-3.5A)
None
SAM  A 203 (-3.5A)
None
SAM  A 203 (-3.2A)
None
 1.35A 2plwA-2plwA:
38.5		 2plwA-2plwA:
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.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  48
GLY A 303
PRO A 308
ILE A 341
ALA A 346
 None
 1.08A 2plwA-2qdeA:
2.5		 2plwA-2qdeA:
18.59
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.
2r3u PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 203
GLY A 199
ILE A  92
ALA A 204
LEU A 212
 None
 1.06A 2plwA-2r3uA:
undetectable		 2plwA-2r3uA:
22.27
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 341
GLY A 110
LYS A 137
GLU A 114
ILE A 115
 None
 0.95A 2plwA-2rjtA:
undetectable		 2plwA-2rjtA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ztg ALANYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 ALA A 621
GLY A 363
GLY A 728
ALA A 362
LEU A  96
 None
 1.11A 2plwA-2ztgA:
undetectable		 2plwA-2ztgA:
13.87
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.
3bh2 ACETOACETATE
DECARBOXYLASE

(Clostridium
acetobutylicum) 		PF06314
(ADC) 		5 TYR A 135
GLY A 136
ILE A  62
ALA A 141
LEU A 203
 None
 1.03A 2plwA-3bh2A:
undetectable		 2plwA-3bh2A:
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.
3c1x HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A1206
GLY A1270
TRP A1249
GLU A1306
ALA A1281
 None
 1.07A 2plwA-3c1xA:
undetectable		 2plwA-3c1xA:
19.74
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.
3czc RMPB

(Streptococcus
mutans) 		PF02302
(PTS_IIB) 		5 ALA A  48
GLY A  70
GLU A  83
ILE A  84
LEU A  78
 None
 1.10A 2plwA-3czcA:
undetectable		 2plwA-3czcA:
16.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		6 ALA A  22
GLY A  46
PRO A  49
GLY A  50
TRP A  52
ALA A 112
 SAM  A   1 (-3.3A)
SAM  A   1 (-3.5A)
SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-4.0A)
SAM  A   1 (-3.7A)
 0.27A 2plwA-3douA:
25.4		 2plwA-3douA:
31.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		6 ALA A  22
GLY A  46
PRO A  49
GLY A  50
TRP A  52
ILE A  84
 SAM  A   1 (-3.3A)
SAM  A   1 (-3.5A)
SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-4.0A)
SAM  A   1 (-3.9A)
 0.66A 2plwA-3douA:
25.4		 2plwA-3douA:
31.55
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 519
GLY A 178
GLY A 146
ILE A 218
ALA A 182
 None
 1.05A 2plwA-3e9yA:
undetectable		 2plwA-3e9yA:
15.61
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.
3f4b ENOYL-ACYL CARRIER
PROTEIN REDUCTASE

(Plasmodium
berghei) 		PF13561
(adh_short_C2) 		5 ALA A  99
GLY A  89
GLY A  93
TRP A  96
ILE A 120
 None
NAD  A 450 (-3.5A)
NAD  A 450 (-3.3A)
None
None
 1.10A 2plwA-3f4bA:
3.4		 2plwA-3f4bA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ALA A 216
GLY A 241
GLY A 212
ALA A 245
LEU A 142
 None
 1.07A 2plwA-3go7A:
3.8		 2plwA-3go7A:
16.50
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.
3icv LIPASE B

(Moesziomyces
antarcticus) 		no annotation 5 GLY A 142
PRO A  72
GLY A  73
ALA A 145
LEU A 149
 None
 1.05A 2plwA-3icvA:
undetectable		 2plwA-3icvA:
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 GLY A 548
LYS A 472
LYS A 473
GLU A 468
ILE A 467
 None
 1.10A 2plwA-3juxA:
3.3		 2plwA-3juxA:
14.73
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		5 GLY A 163
TYR A 161
GLY A  97
ILE A 186
ALA A 125
 None
 1.06A 2plwA-3jyfA:
undetectable		 2plwA-3jyfA:
21.22
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.
3l09 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Jannaschia sp.
CCS1) 		PF07848
(PaaX) 		5 ALA A 107
GLY A 146
ILE A 137
ALA A 227
LEU A 165
 None
 1.09A 2plwA-3l09A:
undetectable		 2plwA-3l09A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 ALA A 287
GLY A  20
GLY A 116
ILE A  26
ALA A 311
 None
FAD  A 416 (-3.3A)
FAD  A 416 (-3.6A)
None
None
 1.10A 2plwA-3lxdA:
undetectable		 2plwA-3lxdA:
17.45
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.
3obw PROTEIN PELOTA
HOMOLOG

(Sulfolobus
solfataricus) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		5 GLY A 226
PRO A 194
GLY A 193
ILE A 104
ALA A 225
 None
 1.11A 2plwA-3obwA:
undetectable		 2plwA-3obwA:
20.32
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.
3pxg NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N) 		5 ALA A 314
PRO A 210
GLY A 208
ILE A 183
ALA A 216
 None
 0.91A 2plwA-3pxgA:
undetectable		 2plwA-3pxgA:
16.35
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.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ALA A 314
PRO A 210
GLY A 208
ILE A 183
ALA A 216
 None
 0.91A 2plwA-3pxiA:
undetectable		 2plwA-3pxiA:
14.15
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		5 GLY A 157
TYR A 168
GLY A 321
ILE A 171
ALA A 160
 None
Q9C  A 401 (-3.7A)
Q9C  A 401 (-3.6A)
None
None
 1.11A 2plwA-3q9cA:
2.2		 2plwA-3q9cA:
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 GLY A 202
GLY A 236
ILE A 283
ALA A 201
LEU A 180
 None
 1.10A 2plwA-3s1sA:
10.0		 2plwA-3s1sA:
12.75
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.
3sth GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Toxoplasma
gondii) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  21
GLY A   6
TYR A  93
ILE A  84
ALA A  31
 None
 1.09A 2plwA-3sthA:
3.7		 2plwA-3sthA:
19.83
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 ALA A 230
GLY A 283
GLY A 226
ALA A 282
LEU A  51
 ATP  A 401 ( 4.1A)
ATP  A 401 (-3.2A)
ATP  A 401 (-3.2A)
None
None
 0.97A 2plwA-3uqeA:
2.9		 2plwA-3uqeA:
19.94
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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT

(Thermochromatium
tepidum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		5 GLY B  11
PRO B 104
GLY B 105
ALA B  15
LEU B  65
 FAD  B 501 (-3.2A)
FAD  B 501 (-4.8A)
FAD  B 501 (-3.3A)
None
None
 0.91A 2plwA-3vrdB:
undetectable		 2plwA-3vrdB:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		5 GLY B   5
TYR B  78
GLY B  91
ILE B  17
ALA B 306
 None
 1.07A 2plwA-3zeuB:
undetectable		 2plwA-3zeuB:
17.63
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.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A  98
PRO A 261
GLY A 262
GLU A 137
ILE A 136
 None
None
PLP  A1350 (-3.5A)
None
None
 0.96A 2plwA-4beqA:
undetectable		 2plwA-4beqA:
17.97
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ALA A 378
GLY A  10
LYS A  34
GLU A 133
ILE A 134
 FAD  A1392 ( 3.7A)
FAD  A1392 (-3.0A)
FAD  A1392 (-3.8A)
None
FAD  A1392 (-4.2A)
 0.72A 2plwA-4cnkA:
undetectable		 2plwA-4cnkA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ALA A 464
GLY A 454
LYS A 933
ALA A 951
LEU A 964
 None
 1.11A 2plwA-4cu8A:
undetectable		 2plwA-4cu8A:
13.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4emw COENZYME A DISULFIDE
REDUCTASE

(Staphylococcus
aureus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 279
GLY A  12
PRO A 113
GLY A 114
ALA A 302
 None
FAD  A 501 (-3.6A)
FAD  A 501 (-4.3A)
FAD  A 501 (-3.5A)
None
 0.71A 2plwA-4emwA:
4.0		 2plwA-4emwA:
19.63
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLY A 400
TYR A 583
GLY A 586
TRP A 398
GLU A 554
 GLY  A 400 ( 0.0A)
TYR  A 583 ( 1.3A)
GLY  A 586 ( 0.0A)
TRP  A 398 ( 0.5A)
GLU  A 554 ( 0.5A)
 1.02A 2plwA-4flxA:
undetectable		 2plwA-4flxA:
13.11
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.
4hi0 UREASE ACCESSORY
PROTEIN UREG

(Helicobacter
pylori) 		PF02492
(cobW) 		5 ALA E 106
GLY E 100
PRO E   9
GLY E   8
ILE E  38
 None
 1.09A 2plwA-4hi0E:
undetectable		 2plwA-4hi0E:
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.
4hka TRYPTOPHAN
2,3-DIOXYGENASE

(Drosophila
melanogaster) 		PF03301
(Trp_dioxygenase) 		5 GLY A 275
PRO A 197
GLY A 198
ALA A 276
LEU A 350
 None
 0.95A 2plwA-4hkaA:
undetectable		 2plwA-4hkaA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 193
GLY A 178
GLY A 301
ALA A 179
LEU A 209
 NAD  A 403 ( 4.1A)
None
NAD  A 403 ( 3.7A)
None
None
 1.07A 2plwA-4jlwA:
9.0		 2plwA-4jlwA:
17.54
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.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  22
GLY A   7
TYR A  98
ILE A  89
ALA A  32
 None
 0.95A 2plwA-4k9dA:
3.5		 2plwA-4k9dA:
19.76
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.
4kk7 ESX-1 SECRETION
SYSTEM PROTEIN ECCB1

(Mycobacterium
tuberculosis) 		PF05108
(T7SS_ESX1_EccB) 		5 ALA A 455
PRO A 131
GLY A 132
ALA A 101
LEU A  75
 None
 1.06A 2plwA-4kk7A:
undetectable		 2plwA-4kk7A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mb2 PHOSPHOPANTOTHENATE
SYNTHETASE

(Thermococcus
onnurineus) 		PF02006
(PPS_PS) 		5 GLY A  78
GLY A  33
ILE A 101
ALA A  81
LEU A 118
 None
 0.93A 2plwA-4mb2A:
undetectable		 2plwA-4mb2A:
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.
4moz FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Slackia
heliotrinireducens) 		PF01791
(DeoC) 		5 ALA A  91
GLY A  82
GLY A  85
ALA A  81
LEU A  39
 None
 1.09A 2plwA-4mozA:
undetectable		 2plwA-4mozA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 ALA A  95
GLY A 120
PRO A 123
GLY A 124
LEU A 205
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.6A)
None
UNX  A1016 ( 2.9A)
None
 0.98A 2plwA-4mtlA:
12.2		 2plwA-4mtlA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus sp.
SG-1) 		PF13561
(adh_short_C2) 		5 ALA A  49
GLY A  20
GLY A  24
ALA A  43
LEU A  76
 None
NAI  A 301 (-3.3A)
NAI  A 301 (-3.5A)
None
None
 1.11A 2plwA-4nbuA:
3.6		 2plwA-4nbuA:
22.10
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.
4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus sp.
SG-1) 		PF13561
(adh_short_C2) 		5 ALA A  53
GLY A  20
GLY A  24
ALA A  43
LEU A  76
 None
NAI  A 301 (-3.3A)
NAI  A 301 (-3.5A)
None
None
 1.06A 2plwA-4nbuA:
3.6		 2plwA-4nbuA:
22.10
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.
4o59 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Bos taurus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O  19
GLY O   4
TYR O  91
ILE O  82
ALA O  29
 None
 0.94A 2plwA-4o59O:
3.0		 2plwA-4o59O:
19.30
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 376
GLY A 327
GLY A 367
ALA A 325
LEU A 341
 None
 1.04A 2plwA-4oqjA:
undetectable		 2plwA-4oqjA:
11.79
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.
4pd4 CYTOCHROME B

(Saccharomyces
cerevisiae) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 GLY C 352
TYR C 348
PRO C 347
ILE C 281
ALA C 355
 None
 0.99A 2plwA-4pd4C:
undetectable		 2plwA-4pd4C:
18.83
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.
4pmz XYLANASE

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 GLY A 289
TYR A 302
PRO A 292
GLY A 293
LEU A  33
 None
 1.05A 2plwA-4pmzA:
undetectable		 2plwA-4pmzA:
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.
4pw8 TRYPTOPHAN
2,3-DIOXYGENASE

(Homo sapiens) 		PF03301
(Trp_dioxygenase) 		5 GLY A 291
PRO A 213
GLY A 214
ALA A 292
LEU A 365
 None
 0.88A 2plwA-4pw8A:
undetectable		 2plwA-4pw8A:
18.77
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.
4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Chlamydia
trachomatis) 		PF13561
(adh_short_C2) 		5 ALA A  27
GLY A  17
GLY A  21
TRP A  24
ILE A  48
 None
NAI  A 301 (-3.8A)
NAI  A 301 (-3.2A)
None
None
 1.07A 2plwA-4q9nA:
8.3		 2plwA-4q9nA:
21.22
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		5 GLY A 360
GLY A  74
LYS A 301
GLU A 298
ALA A 357
 None
 1.06A 2plwA-4r3uA:
undetectable		 2plwA-4r3uA:
16.27
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.
4rsh LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Desulfitobacterium
hafniense) 		PF13472
(Lipase_GDSL_2) 		5 GLY A 220
TYR A 216
GLY A 215
ALA A 223
LEU A 227
 None
 1.04A 2plwA-4rshA:
2.0		 2plwA-4rshA:
20.19
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.
4w9u ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  33
GLY A 262
ILE A 340
ALA A 263
LEU A 366
 None
 1.10A 2plwA-4w9uA:
undetectable		 2plwA-4w9uA:
17.99
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.
4xci THERMOSOME SUBUNIT
ALPHA

(Sulfolobus
solfataricus) 		PF00118
(Cpn60_TCP1) 		5 ALA A 431
TYR A 124
GLY A 123
ALA A 131
LEU A 135
 None
 1.09A 2plwA-4xciA:
undetectable		 2plwA-4xciA:
16.20
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.
4ywo MERCURIC REDUCTASE

(Metallosphaera
sedula) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 303
GLY A   8
LYS A  32
GLU A 105
LEU A 259
 FAD  A 501 (-3.6A)
FAD  A 501 (-2.8A)
FAD  A 501 (-4.7A)
None
FAD  A 501 (-4.4A)
 0.94A 2plwA-4ywoA:
undetectable		 2plwA-4ywoA:
18.10
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.
4zng PROLIDASE

(Lactococcus
lactis) 		no annotation 5 GLY C 327
TYR C 286
GLY C 287
ILE C 338
LEU C 219
 None
 1.07A 2plwA-4zngC:
undetectable		 2plwA-4zngC:
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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		5 GLY A 439
PRO A 404
GLY A 406
ALA A 438
LEU A 465
 None
 0.98A 2plwA-5cd6A:
undetectable		 2plwA-5cd6A:
16.25
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.
5i01 PHOSPHOHEPTOSE
ISOMERASE

(Neisseria
gonorrhoeae) 		PF13580
(SIS_2) 		5 ALA A  18
GLY A 147
PRO A 169
ILE A 153
LEU A 163
 None
 0.93A 2plwA-5i01A:
undetectable		 2plwA-5i01A:
17.76
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 ALA A 961
PRO A 922
ILE A 119
ALA A 987
LEU A 977
 None
 1.06A 2plwA-5ijlA:
undetectable		 2plwA-5ijlA:
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 GLY A 122
PRO A  93
GLY A  94
ILE A 499
LEU A 577
 None
 1.10A 2plwA-5iojA:
undetectable		 2plwA-5iojA:
15.78
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.
5jb3 30S RIBOSOMAL
PROTEIN S2

(Pyrococcus
abyssi) 		PF00318
(Ribosomal_S2) 		5 ALA B  60
TYR B 177
GLY B 180
ILE B 190
ALA B 172
 None
 0.96A 2plwA-5jb3B:
undetectable		 2plwA-5jb3B:
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.
5jcn OS09G0567300 PROTEIN

(Oryza sativa) 		PF07992
(Pyr_redox_2) 		6 ALA A 319
GLY A  13
GLY A  19
LYS A  40
GLU A  95
ILE A  96
 FAD  A 500 (-3.6A)
FAD  A 500 (-3.0A)
None
FAD  A 500 (-4.7A)
None
FAD  A 500 (-4.5A)
 1.01A 2plwA-5jcnA:
2.2		 2plwA-5jcnA:
18.30
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.
5jcn OS09G0567300 PROTEIN

(Oryza sativa) 		PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  19
LYS A  40
GLU A  95
LEU A 268
 FAD  A 500 (-3.0A)
None
FAD  A 500 (-4.7A)
None
FAD  A 500 (-4.5A)
 1.08A 2plwA-5jcnA:
2.2		 2plwA-5jcnA:
18.30
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA

(Pyrococcus
furiosus) 		PF10418
(DHODB_Fe-S_bind) 		5 PRO S  36
GLY S  37
GLU S  24
ILE S  25
ALA S  31
 None
 1.08A 2plwA-5jfcS:
5.8		 2plwA-5jfcS:
20.75
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.
5jpq ES8

(Chaetomium
thermophilum) 		no annotation 5 LYS t  83
GLU t  70
ILE t  86
ALA t 186
LEU t  68
 U  2 259 ( 2.0A)
None
None
None
None
 1.11A 2plwA-5jpqt:
undetectable		 2plwA-5jpqt:
18.83
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.
5k8d COAGULATION FACTOR
VIII

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 ALA A 200
GLY A 174
GLY A 171
ALA A 175
LEU A 177
 None
 1.05A 2plwA-5k8dA:
undetectable		 2plwA-5k8dA:
14.32
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.
5l51 (-)-MENTHONE:(+)-NEO
MENTHOL REDUCTASE

(Mentha x
piperita) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 ALA A  53
GLY A  20
GLY A  24
ALA A  43
LEU A  85
 None
 1.05A 2plwA-5l51A:
3.0		 2plwA-5l51A:
18.87
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.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ALA A 393
GLY A 264
GLY A 403
GLU A 292
ALA A 268
 None
 1.10A 2plwA-5li8A:
undetectable		 2plwA-5li8A:
14.63
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.
5nmi CYTOCHROME B

(Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 GLY C 351
TYR C 347
PRO C 346
ILE C 280
ALA C 354
 None
 0.97A 2plwA-5nmiC:
undetectable		 2plwA-5nmiC:
18.75
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.
5ubu PUTATIVE
ACETAMIDASE/FORMAMID
ASE

(Yersinia
enterocolitica) 		PF03069
(FmdA_AmdA) 		5 GLY A 211
PRO A 174
GLY A  38
GLU A  94
LEU A 244
 None
 1.02A 2plwA-5ubuA:
undetectable		 2plwA-5ubuA:
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 ALA A 116
GLY A  64
GLY A  90
TRP A  91
ALA A  63
 None
 1.08A 2plwA-6c49A:
8.0		 2plwA-6c49A:
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.
6ft5 -

(-) 		no annotation 5 ALA A 178
GLY A 172
GLU A 111
ILE A 139
ALA A 144
 None
 1.11A 2plwA-6ft5A:
undetectable		 2plwA-6ft5A:
undetectable