SIMILAR PATTERNS OF AMINO ACIDS FOR 5N5D_A_SAMA306

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.
1b8a PROTEIN
(ASPARTYL-TRNA
SYNTHETASE)

(Thermococcus
kodakarensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ALA A  73
VAL A  96
GLU A  75
GLY A  76
TYR A   2
 None
 0.97A 5n5dA-1b8aA:
undetectable		 5n5dA-1b8aA:
19.32
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 ALA A 113
GLY A 138
TYR A 117
ARG A  61
ALA A  58
ALA A 278
 None
 1.34A 5n5dA-1eblA:
undetectable		 5n5dA-1eblA:
23.44
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 ALA A  37
GLY A  12
TYR A  65
GLU A  46
ALA A  13
 None
 1.20A 5n5dA-1efpA:
2.1		 5n5dA-1efpA:
25.23
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.
1gns SUBTILISIN BPN'

(Bacillus
amyloliquefaciens) 		PF00082
(Peptidase_S8) 		5 ALA A 151
VAL A 150
GLY A 178
GLU A 156
ALA A 187
 None
 1.15A 5n5dA-1gnsA:
undetectable		 5n5dA-1gnsA:
23.72
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 136
VAL A 135
GLY A  97
PHE A 117
ALA A  98
 NAD  A 352 (-4.3A)
None
NAD  A 352 (-4.2A)
None
None
 1.20A 5n5dA-1ldnA:
4.0		 5n5dA-1ldnA:
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ALA A 265
GLY A 138
TYR A 262
ALA A 532
ALA A 141
 None
 1.10A 5n5dA-1m64A:
3.0		 5n5dA-1m64A:
18.99
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.
1rgv FERREDOXIN

(Thauera
aromatica) 		PF00037
(Fer4) 		5 GLU A  39
TYR A   3
GLU A  17
ALA A  43
TYR A  75
 None
 1.20A 5n5dA-1rgvA:
undetectable		 5n5dA-1rgvA:
15.49
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		7 GLU A  85
GLY A  87
TYR A  92
ALA A 140
PHE A 161
ALA A 164
TYR A 172
 SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
None
SAH  A 301 ( 3.7A)
None
 0.46A 5n5dA-1susA:
25.5		 5n5dA-1susA:
26.00
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.
1wdi HYPOTHETICAL PROTEIN
TT0907

(Thermus
thermophilus) 		PF02547
(Queuosine_synth) 		5 VAL A  32
GLY A 317
TYR A  33
ALA A 313
TYR A   7
 None
 1.11A 5n5dA-1wdiA:
2.1		 5n5dA-1wdiA:
22.99
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.
1wdu TRAS1 ORF2P

(Bombyx mori) 		PF14529
(Exo_endo_phos_2) 		5 ALA A  52
VAL A  25
GLY A 156
GLU A  56
ALA A 158
 None
None
None
PO4  A 249 (-4.0A)
None
 1.08A 5n5dA-1wduA:
2.7		 5n5dA-1wduA:
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.
1whs SERINE
CARBOXYPEPTIDASE II

(Triticum
aestivum) 		PF00450
(Peptidase_S10) 		5 ALA A   9
VAL A  10
GLY A   6
ALA A  76
PHE A  69
 None
 1.12A 5n5dA-1whsA:
undetectable		 5n5dA-1whsA:
22.26
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 VAL A 268
GLY A 342
PHE A 333
ALA A 343
TYR A 157
 VAL  A 268 ( 0.6A)
GLY  A 342 ( 0.0A)
PHE  A 333 ( 1.3A)
ALA  A 343 ( 0.0A)
TYR  A 157 ( 1.3A)
 1.11A 5n5dA-1wqaA:
undetectable		 5n5dA-1wqaA:
20.04
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.
1xvx YFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 GLY A 193
ALA A 184
PHE A 145
ALA A 137
TYR A 175
 None
 1.02A 5n5dA-1xvxA:
undetectable		 5n5dA-1xvxA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 GLY A 190
ALA A 181
PHE A 142
ALA A 134
TYR A 172
 None
 1.05A 5n5dA-1xvyA:
undetectable		 5n5dA-1xvyA:
24.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 GLY A 110
TYR A 115
ALA A 163
ALA A 186
TYR A 194
 SAM  A 501 (-3.4A)
None
SAM  A 501 (-3.5A)
SAM  A 501 (-3.7A)
None
 0.62A 5n5dA-2avdA:
28.4		 5n5dA-2avdA:
34.60
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.
2e1m L-GLUTAMATE OXIDASE
L-GLUTAMATE OXIDASE

(Streptomyces
sp. X-119-6;
Streptomyces
sp. X-119-6) 		PF01593
(Amino_oxidase)
PF01593
(Amino_oxidase) 		5 ALA A 341
GLY A  70
ARG C 663
ALA C 643
ALA A  73
 None
 1.12A 5n5dA-2e1mA:
undetectable		 5n5dA-2e1mA:
21.99
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLU A  60
GLY A  62
TYR A  67
ALA A 114
PHE A 131
 None
 0.66A 5n5dA-2gpyA:
20.7		 5n5dA-2gpyA:
29.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		7 GLU A  66
GLY A  68
TYR A  73
ALA A 121
PHE A 152
ALA A 155
TYR A 163
 SAH  A2001 ( 4.2A)
SAH  A2001 (-3.3A)
None
SAH  A2001 (-3.3A)
None
SAH  A2001 ( 3.8A)
None
 0.44A 5n5dA-2hnkA:
28.2		 5n5dA-2hnkA:
30.43
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.
2hsy THIOREDOXIN II

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin) 		5 ALA A 101
ALA A  14
PHE A  78
ALA A  52
TYR A  54
 None
 1.16A 5n5dA-2hsyA:
undetectable		 5n5dA-2hsyA:
20.50
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.
2o5v DNA REPLICATION AND
REPAIR PROTEIN RECF

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 ALA A 113
VAL A 114
TYR A  47
ALA A 331
ALA A 317
 None
 1.20A 5n5dA-2o5vA:
undetectable		 5n5dA-2o5vA:
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 GLU A 158
GLY A 157
ARG A  70
PHE A 131
ALA A 156
 None
 1.20A 5n5dA-2x7jA:
4.5		 5n5dA-2x7jA:
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.
2xxl GRAM-POSITIVE
SPECIFIC SERINE
PROTEASE, ISOFORM B

(Drosophila
melanogaster) 		PF00089
(Trypsin)
PF12032
(CLIP) 		5 ALA A 161
GLU A 338
GLY A 340
GLU A 363
TYR A 260
 None
 1.20A 5n5dA-2xxlA:
undetectable		 5n5dA-2xxlA:
21.57
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 ALA A  17
GLY A  51
ALA A  66
ALA A  54
TYR A  64
 None
 1.19A 5n5dA-2yr0A:
15.2		 5n5dA-2yr0A:
20.69
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 VAL A 473
GLU A 453
GLY A 452
ALA A 272
ALA A 455
 None
 1.20A 5n5dA-2z5xA:
undetectable		 5n5dA-2z5xA:
17.73
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.
2ze3 DFA0005

(Deinococcus
ficus) 		PF13714
(PEP_mutase) 		5 ALA A  81
VAL A 109
GLY A  86
ALA A  85
TYR A 123
 None
 0.98A 5n5dA-2ze3A:
2.1		 5n5dA-2ze3A:
23.97
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.
2zuf ARGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 GLY A 474
TYR A 619
ARG A 447
ALA A 444
ALA A 475
 None
 1.21A 5n5dA-2zufA:
undetectable		 5n5dA-2zufA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 ALA A 174
VAL A 175
GLY A 153
GLU A 130
ALA A 156
 ACA  A 602 ( 3.0A)
None
None
None
None
 1.15A 5n5dA-3a2qA:
undetectable		 5n5dA-3a2qA:
19.24
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 GLY A 411
TYR A 368
ALA A 389
ALA A 412
TYR A 424
 None
 1.20A 5n5dA-3auoA:
undetectable		 5n5dA-3auoA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 VAL A  42
GLU A  64
GLY A  66
TYR A  71
PHE A 139
 SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
None
None
 0.43A 5n5dA-3bwmA:
22.8		 5n5dA-3bwmA:
30.67
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		7 GLU A  76
GLY A  78
TYR A  83
ALA A 131
PHE A 152
ALA A 155
TYR A 163
 SAH  A 464 ( 4.2A)
SAH  A 464 (-3.7A)
None
SAH  A 464 (-3.5A)
None
SAH  A 464 (-3.7A)
None
 0.35A 5n5dA-3c3yA:
27.3		 5n5dA-3c3yA:
27.82
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.
3c87 ENTEROCHELIN
ESTERASE

(Shigella
flexneri) 		PF00756
(Esterase)
PF11806
(DUF3327) 		5 ALA A 197
VAL A 198
GLY A 299
PHE A 298
ALA A 272
 None
 1.02A 5n5dA-3c87A:
undetectable		 5n5dA-3c87A:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		7 GLU A  66
GLY A  68
TYR A  73
ALA A 121
PHE A 141
ALA A 144
TYR A 152
 SAH  A 301 ( 4.4A)
SAH  A 301 (-3.7A)
None
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.4A)
None
 0.28A 5n5dA-3cbgA:
27.5		 5n5dA-3cbgA:
33.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		7 GLU A  64
GLY A  66
TYR A  71
ALA A 119
PHE A 138
ALA A 141
TYR A 149
 None
 0.75A 5n5dA-3dulA:
26.3		 5n5dA-3dulA:
47.53
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.
3ez0 UNCHARACTERIZED
PROTEIN WITH
FERRITIN-LIKE FOLD

(Arthrobacter
sp. FB24) 		PF13794
(MiaE_2) 		5 VAL A 179
GLY A 187
GLU A 200
PHE A 185
TYR A 121
 None
 1.17A 5n5dA-3ez0A:
undetectable		 5n5dA-3ez0A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hst PROTEIN
RV2228C/MT2287

(Mycobacterium
tuberculosis) 		PF13456
(RVT_3) 		5 ALA B  99
GLY B  56
TYR B  50
ALA B  34
ALA B  60
 None
 1.19A 5n5dA-3hstB:
undetectable		 5n5dA-3hstB:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 ALA A 233
VAL A 178
GLY A 261
ALA A 264
PHE A 195
 None
 1.01A 5n5dA-3hutA:
4.9		 5n5dA-3hutA:
23.51
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.
3iv7 ALCOHOL
DEHYDROGENASE IV

(Corynebacterium
glutamicum) 		PF00465
(Fe-ADH) 		5 GLY A 173
TYR A 226
ARG A 298
ALA A 260
ALA A 175
 None
 1.15A 5n5dA-3iv7A:
2.7		 5n5dA-3iv7A:
21.58
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ALA A 249
VAL A 248
GLU A 241
TYR A 256
ALA A 278
 None
 0.98A 5n5dA-3k28A:
3.2		 5n5dA-3k28A:
21.36
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ALA A 249
VAL A 248
GLU A 241
TYR A 256
GLU A 104
 None
 1.06A 5n5dA-3k28A:
3.2		 5n5dA-3k28A:
21.36
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.
3kg4 UNCHARACTERIZED
PROTEIN

([Mannheimia]
succiniciproducens) 		PF09704
(Cas_Cas5d) 		5 ALA A 113
VAL A 112
GLU A 117
PHE A  16
ALA A  36
 None
 1.15A 5n5dA-3kg4A:
undetectable		 5n5dA-3kg4A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 244
VAL A 245
GLY A 179
ALA A 312
ALA A 153
 NAI  A 601 (-3.7A)
NAI  A 601 (-4.3A)
NAI  A 601 (-3.5A)
None
None
 1.09A 5n5dA-3meqA:
7.0		 5n5dA-3meqA:
22.56
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.
3mxg SHIGA-LIKE TOXIN 2
SUBUNIT B

(Escherichia
coli) 		PF02258
(SLT_beta) 		5 GLU A   9
GLY A  25
ALA A   4
PHE A  10
TYR A  28
 None
 0.97A 5n5dA-3mxgA:
undetectable		 5n5dA-3mxgA:
16.48
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		6 VAL A  55
GLU A  77
GLY A  79
TYR A  84
ALA A 131
PHE A 147
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
None
 0.46A 5n5dA-3ntvA:
22.8		 5n5dA-3ntvA:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 ALA B 519
VAL B 520
GLY B 327
GLU B 487
ALA B 328
 None
 1.20A 5n5dA-3opyB:
undetectable		 5n5dA-3opyB:
13.35
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.
3qw4 UMP SYNTHASE

(Leishmania
donovani) 		PF00156
(Pribosyltran)
PF00215
(OMPdecase) 		5 VAL B 187
GLY B 173
TYR B 155
ALA B 129
PHE B 196
 None
 1.12A 5n5dA-3qw4B:
undetectable		 5n5dA-3qw4B:
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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		5 GLY A  68
GLU A  95
ALA A 121
ALA A 144
TYR A 152
 None
 1.12A 5n5dA-3r3hA:
26.1		 5n5dA-3r3hA:
28.23
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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		7 VAL A  44
GLU A  66
TYR A  73
ALA A 121
PHE A 141
ALA A 144
TYR A 152
 None
 0.77A 5n5dA-3r3hA:
26.1		 5n5dA-3r3hA:
28.23
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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		7 VAL A  44
GLY A  68
TYR A  73
ALA A 121
PHE A 141
ALA A 144
TYR A 152
 None
 0.90A 5n5dA-3r3hA:
26.1		 5n5dA-3r3hA:
28.23
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.
3rb9 DNA POLYMERASE III
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ALA A 386
VAL A 387
GLY A 355
ALA A 271
TYR A 326
 None
 0.97A 5n5dA-3rb9A:
undetectable		 5n5dA-3rb9A:
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.
3t69 PUTATIVE
2-DEHYDRO-3-DEOXYGAL
ACTONOKINASE

(Sinorhizobium
meliloti) 		PF05035
(DGOK) 		5 ALA A 236
VAL A 188
GLY A 242
ALA A 277
PHE A 175
 None
 0.99A 5n5dA-3t69A:
undetectable		 5n5dA-3t69A:
22.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		6 GLU A  67
GLY A  69
TYR A  74
GLU A 119
PHE A 139
TYR A 150
 None
 1.50A 5n5dA-3tfwA:
33.5		 5n5dA-3tfwA:
43.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		8 VAL A  45
GLU A  67
GLY A  69
TYR A  74
ALA A 122
PHE A 139
ALA A 142
TYR A 150
 None
 0.46A 5n5dA-3tfwA:
33.5		 5n5dA-3tfwA:
43.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqh QUINONE
OXIDOREDUCTASE

(Coxiella
burnetii) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ALA A 194
VAL A 177
GLY A 163
GLU A 287
ALA A 134
 None
 1.20A 5n5dA-3tqhA:
8.4		 5n5dA-3tqhA:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 GLY A  69
TYR A  74
ALA A 122
ALA A 145
TYR A 153
 SAH  A 224 (-3.9A)
None
SAH  A 224 (-3.8A)
SAH  A 224 (-3.5A)
None
 0.36A 5n5dA-3tr6A:
28.5		 5n5dA-3tr6A:
30.74
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A 540
GLY A 398
TRP A 400
GLU A 145
ALA A 483
 None
 1.15A 5n5dA-3u4aA:
undetectable		 5n5dA-3u4aA:
14.98
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 ALA A 171
TYR A  47
ARG A  99
ALA A 102
ALA A 131
 None
 1.19A 5n5dA-3uhjA:
3.4		 5n5dA-3uhjA:
20.88
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 VAL A  49
GLY A  43
ALA A 201
ALA A  41
TYR A  72
 None
 1.17A 5n5dA-4bedA:
undetectable		 5n5dA-4bedA:
9.75
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.
4e77 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Yersinia pestis) 		PF00202
(Aminotran_3) 		5 ALA A 246
VAL A 245
GLU A 238
TYR A 253
ALA A 275
 None
 1.12A 5n5dA-4e77A:
2.3		 5n5dA-4e77A:
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 VAL A 336
GLY A 295
GLU A 243
ALA A 298
TYR A 249
 None
 1.13A 5n5dA-4fzvA:
11.5		 5n5dA-4fzvA:
20.11
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.
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		5 ALA A 343
GLY A 382
TRP A  63
ALA A 400
ALA A 175
 ALA  A 343 ( 0.0A)
GLY  A 382 (-0.0A)
TRP  A  63 (-0.5A)
ALA  A 400 ( 0.0A)
ALA  A 175 (-0.0A)
 1.18A 5n5dA-4g9kA:
2.6		 5n5dA-4g9kA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gn2 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		5 ALA A 231
VAL A 205
GLU A  48
PHE A 227
ALA A 241
 None
 1.09A 5n5dA-4gn2A:
undetectable		 5n5dA-4gn2A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jfc ENOYL-COA HYDRATASE

(Polaromonas sp.
JS666) 		PF00378
(ECH_1) 		5 GLU A  30
GLY A   3
GLU A  22
ARG A  24
ALA A  26
 None
 1.18A 5n5dA-4jfcA:
undetectable		 5n5dA-4jfcA:
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.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		5 ALA A  17
GLY A 336
TYR A 339
ALA A 334
TYR A 112
 None
 1.19A 5n5dA-4kr8A:
undetectable		 5n5dA-4kr8A:
23.21
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.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Vibrio cholerae) 		PF01135
(PCMT) 		5 VAL A  64
GLU A  81
GLY A  83
TYR A  88
ALA A 149
 None
SAH  A 301 ( 4.6A)
SAH  A 301 (-3.3A)
None
SAH  A 301 ( 4.1A)
 1.16A 5n5dA-4l7vA:
12.0		 5n5dA-4l7vA:
26.25
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.
4lmp ALANINE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ALA A  17
VAL A  16
GLY A  22
PHE A  50
ALA A  21
 None
 1.10A 5n5dA-4lmpA:
7.1		 5n5dA-4lmpA:
22.87
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A  80
VAL A  79
GLU A 348
ALA A  51
PHE A  56
 None
None
K  A 501 (-3.5A)
None
None
 1.17A 5n5dA-4ls5A:
undetectable		 5n5dA-4ls5A:
21.72
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.
4o1m ENOYL-ACYL CARRIER
REDUCTASE

(Toxoplasma
gondii) 		PF13561
(adh_short_C2) 		5 ALA A 111
VAL A 114
GLY A  41
TRP A  43
ALA A  18
 None
None
None
NAD  A 401 (-4.8A)
NAD  A 401 (-3.7A)
 1.20A 5n5dA-4o1mA:
3.1		 5n5dA-4o1mA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		6 GLU A  62
GLY A  64
ALA A 117
PHE A 134
ALA A 137
TYR A 145
 SAM  A 301 ( 4.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
None
SAM  A 301 ( 3.9A)
None
 0.22A 5n5dA-4pclA:
29.6		 5n5dA-4pclA:
31.12
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ALA A2404
VAL A2403
GLY A2298
GLU A2293
PHE A2305
 None
None
ADP  A4405 (-3.5A)
ADP  A4405 (-4.9A)
None
 0.86A 5n5dA-4rh7A:
undetectable		 5n5dA-4rh7A:
5.16
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.
4rqo L-SERINE DEHYDRATASE

(Legionella
pneumophila) 		PF03313
(SDH_alpha)
PF03315
(SDH_beta) 		5 VAL A 408
GLY A 357
GLU A 370
ALA A 191
ALA A 360
 None
 0.95A 5n5dA-4rqoA:
undetectable		 5n5dA-4rqoA:
21.68
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.
4ryb 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Neisseria
meningitidis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 112
GLY A 140
TYR A 119
ALA A  59
ALA A 141
 None
 1.17A 5n5dA-4rybA:
undetectable		 5n5dA-4rybA:
24.22
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.
4rzh 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Synechocystis
sp. PCC 6803) 		PF13561
(adh_short_C2) 		5 ALA A  60
VAL A  61
TYR A  37
ALA A 225
ALA A   9
 None
 1.18A 5n5dA-4rzhA:
8.9		 5n5dA-4rzhA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uei STEROL CARRIER
PROTEIN
2/3-OXOACYL-COA
THIOLASE

(Helicoverpa
armigera) 		PF02036
(SCP2) 		5 GLU A  33
GLY A  75
GLU A  45
ALA A  70
TYR A  51
 None
 1.16A 5n5dA-4ueiA:
undetectable		 5n5dA-4ueiA:
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.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A 408
VAL A 343
GLY A 401
GLU A 109
ALA A 400
 None
 1.19A 5n5dA-4wjbA:
undetectable		 5n5dA-4wjbA:
21.93
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.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A 408
VAL A 343
GLY A 401
TYR A 192
ALA A 400
 None
 1.15A 5n5dA-4wjbA:
undetectable		 5n5dA-4wjbA:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		7 GLU A  71
GLY A  73
TYR A  78
ALA A 127
PHE A 142
ALA A 145
TYR A 153
 SAM  A1001 ( 4.4A)
SAM  A1001 (-3.3A)
None
SAM  A1001 (-3.4A)
None
SAM  A1001 ( 3.5A)
None
 0.47A 5n5dA-4ymgA:
25.4		 5n5dA-4ymgA:
30.36
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		5 ALA A 704
GLY A 719
TYR A 715
ALA A 404
ALA A 723
 None
 1.05A 5n5dA-4yu5A:
undetectable		 5n5dA-4yu5A:
16.78
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.
4zju ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Acinetobacter
baumannii) 		PF13561
(adh_short_C2) 		5 GLY A  25
GLU A 227
ALA A 232
PHE A  57
ALA A  29
 None
 1.17A 5n5dA-4zjuA:
7.3		 5n5dA-4zjuA:
23.25
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.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		5 ALA A 251
VAL A 252
GLY A 229
ALA A   9
ALA A  24
 None
 1.05A 5n5dA-5b6aA:
4.5		 5n5dA-5b6aA:
24.84
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		5 ALA A  40
VAL A 258
GLY A 330
TYR A  43
PHE A 328
 None
 1.20A 5n5dA-5e3cA:
undetectable		 5n5dA-5e3cA:
16.18
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.
5gin 50S RIBOSOMAL
PROTEIN L7AE

(Sulfolobus
solfataricus) 		PF01248
(Ribosomal_L7Ae) 		5 ALA C  25
VAL C  22
GLU C 106
ALA C  45
ALA C 103
 None
 1.13A 5n5dA-5ginC:
undetectable		 5n5dA-5ginC:
22.42
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.
5i92 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 ALA A 246
VAL A 245
GLU A 238
TYR A 253
ALA A 275
 None
 1.08A 5n5dA-5i92A:
3.1		 5n5dA-5i92A:
22.00
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.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  17
GLY A   6
GLU A  32
ALA A  35
TYR A  79
 None
 1.09A 5n5dA-5j9gA:
4.3		 5n5dA-5j9gA:
25.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 ALA A  23
VAL A  22
ALA A 118
PHE A 141
ALA A  91
 None
None
None
NAD  A 301 (-4.8A)
NAD  A 301 (-3.8A)
 1.15A 5n5dA-5jy1A:
8.0		 5n5dA-5jy1A:
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		7 GLU A  99
GLY A 101
TYR A 106
ALA A 154
PHE A 175
ALA A 178
TYR A 186
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.7A)
None
SAM  A 301 (-3.7A)
None
 0.50A 5n5dA-5kvaA:
26.4		 5n5dA-5kvaA:
27.82
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.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ALA A 226
VAL A 225
GLU A 208
ARG A 201
PHE A 246
 None
None
None
None
KKK  A 502 (-4.7A)
 1.17A 5n5dA-5li8A:
undetectable		 5n5dA-5li8A:
22.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		7 GLU A  65
GLY A  67
TYR A  72
ALA A 120
PHE A 140
ALA A 143
TYR A 151
 SAH  A1001 ( 4.4A)
SAH  A1001 (-3.5A)
None
SAH  A1001 (-3.4A)
None
SAH  A1001 (-3.7A)
None
 0.30A 5n5dA-5logA:
29.3		 5n5dA-5logA:
34.55
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.
5m8b ALPHA-L-ARABINOFURAN
OSIDASE II

(Lactobacillus
brevis) 		PF04616
(Glyco_hydro_43) 		5 ALA A  36
VAL A  34
ALA A  69
ALA A  92
TYR A 109
 None
 1.08A 5n5dA-5m8bA:
undetectable		 5n5dA-5m8bA:
21.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		12 ALA A  40
VAL A  41
GLU A  63
GLY A  65
TYR A  70
TRP A  90
GLU A  91
ARG A 117
ALA A 118
PHE A 137
ALA A 140
TYR A 148
 SAM  A 306 (-3.3A)
SAM  A 306 (-3.4A)
SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
None
None
None
None
SAM  A 306 (-3.5A)
BU3  A 301 (-4.1A)
SAM  A 306 (-3.6A)
None
 0.46A 5n5dA-5n5dA:
43.4		 5n5dA-5n5dA:
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		5 ALA A  20
VAL A  19
PHE A  58
ALA A  14
TYR A  53
 None
 1.07A 5n5dA-5t13A:
undetectable		 5n5dA-5t13A:
22.19
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.
5thw DEACYLASE

(Burkholderia
multivorans) 		PF01546
(Peptidase_M20) 		5 ALA A 416
VAL A 351
GLY A 409
GLU A 117
ALA A 408
 None
 1.15A 5n5dA-5thwA:
undetectable		 5n5dA-5thwA:
19.95
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.
5was HOMOSERINE KINASE

(Corynebacterium
glutamicum) 		no annotation 5 ALA A 107
VAL A 108
GLY A  75
ALA A  81
ALA A 114
 None
 1.07A 5n5dA-5wasA:
undetectable		 5n5dA-5wasA:
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.
5wat HOMOSERINE KINASE

(Corynebacterium
glutamicum) 		no annotation 5 ALA A 107
VAL A 108
GLY A  75
ALA A  81
ALA A 114
 None
 1.08A 5n5dA-5watA:
undetectable		 5n5dA-5watA:
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.
5wyg PROBABLE
ENDORIBONUCLEASE
MAZF7

(Mycobacterium
tuberculosis) 		PF02452
(PemK_toxin) 		5 ALA A  28
VAL A  50
GLY A  93
GLU A   3
ALA A  94
 None
 1.03A 5n5dA-5wygA:
undetectable		 5n5dA-5wygA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x09 V-TYPE ATP SYNTHASE
ALPHA CHAIN,V-TYPE
ATP SYNTHASE ALPHA
CHAIN

(Pyrococcus
horikoshii) 		no annotation 5 ALA A 330
GLU A 267
ARG A 105
ALA A 104
ALA A 295
 None
 1.10A 5n5dA-5x09A:
undetectable		 5n5dA-5x09A:
17.60
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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		5 VAL A  34
GLY A  61
TYR A  53
PHE A 274
ALA A  28
 None
 1.17A 5n5dA-5x6sA:
undetectable		 5n5dA-5x6sA:
22.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		9 ALA A  41
VAL A  42
GLU A  64
GLY A  66
GLU A  92
ALA A 120
PHE A 136
ALA A 139
TYR A 147
 SAM  A 301 (-4.2A)
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.5A)
None
 0.43A 5n5dA-5x7fA:
26.7		 5n5dA-5x7fA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		6 ALA A  69
GLU A  64
GLY A  66
ALA A 120
ALA A 139
TYR A 147
 None
SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
None
 1.47A 5n5dA-5x7fA:
26.7		 5n5dA-5x7fA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLU A  64
GLU A  92
ARG A 119
ALA A 120
TYR A 147
 SAM  A 301 ( 4.7A)
None
SAM  A 301 (-4.6A)
SAM  A 301 (-3.5A)
None
 0.86A 5n5dA-5x7fA:
26.7		 5n5dA-5x7fA:
34.78
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 GLU A  60
GLY A  62
TYR A  67
ALA A 114
PHE A 131
ALA A 134
 SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
None
SAM  A 302 (-3.7A)
None
SAM  A 302 (-3.4A)
 0.49A 5n5dA-5zw4A:
25.0		 5n5dA-5zw4A:
28.93
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.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		4 LEU A 299
PHE A 300
GLU A  80
ASP A 302
 None
 1.04A 5n5dA-1biyA:
undetectable		 5n5dA-1biyA:
15.82
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.
1em2 MLN64 PROTEIN

(Homo sapiens) 		PF01852
(START) 		4 LEU A 434
PHE A 430
ILE A 284
ASP A 269
 None
 1.06A 5n5dA-1em2A:
undetectable		 5n5dA-1em2A:
21.86
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.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		4 LEU A 133
SER A 124
ILE A 304
ASN A 113
 None
 1.05A 5n5dA-1i41A:
4.4		 5n5dA-1i41A:
19.33
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.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		4 LEU A 297
SER A 293
ILE A 289
ASP A 223
 None
 1.06A 5n5dA-1ibqA:
undetectable		 5n5dA-1ibqA:
21.41
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.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 LEU A  28
ILE A 220
GLU A 216
ASP A 235
 None
None
None
MG  A 498 ( 2.6A)
 0.87A 5n5dA-1jctA:
undetectable		 5n5dA-1jctA:
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 LEU A 367
ILE A 346
ASP A 364
ASN A 217
 None
 0.95A 5n5dA-1lrwA:
undetectable		 5n5dA-1lrwA:
17.53
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 SER A 207
ILE A 202
GLU A 270
ASP A 255
 BEN  A   1 (-3.5A)
None
ZN  A 501 ( 4.9A)
BEN  A   1 (-3.1A)
 1.01A 5n5dA-1nsaA:
undetectable		 5n5dA-1nsaA:
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.
1qr7 PHENYLALANINE-REGULA
TED
3-DEOXY-D-ARABINO-HE
PTULOSONATE-7-PHOSPH
ATE SYNTHASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		4 LEU A 107
PHE A  95
ILE A 148
ASN A 120
 None
 1.01A 5n5dA-1qr7A:
undetectable		 5n5dA-1qr7A:
20.23
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.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		4 LEU A  63
SER A  67
ILE A 135
ASP A 126
 None
 0.89A 5n5dA-1rtrA:
undetectable		 5n5dA-1rtrA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tx4 P50-RHOGAP

(Homo sapiens) 		PF00620
(RhoGAP) 		4 LEU A 226
PHE A 222
ILE A 216
ASN A 202
 None
 1.02A 5n5dA-1tx4A:
undetectable		 5n5dA-1tx4A:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlu GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		4 SER A   2
ILE A 199
GLU A 197
ASP A 191
 None
 1.06A 5n5dA-1vluA:
undetectable		 5n5dA-1vluA:
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		4 LEU A   7
PHE A   9
GLU A  13
ASN A 462
 None
 0.81A 5n5dA-1xrsA:
undetectable		 5n5dA-1xrsA:
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		4 LEU 1  90
PHE 1  94
SER 1 169
GLU 1  97
 None
 1.06A 5n5dA-1y791:
undetectable		 5n5dA-1y791:
18.11
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.
1ztc HYPOTHETICAL PROTEIN
TM0894

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		4 LEU A  80
SER A 114
ILE A 107
ASN A  41
 None
 0.82A 5n5dA-1ztcA:
undetectable		 5n5dA-1ztcA:
22.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 PHE A 112
SER A 116
GLU A 134
ASP A 185
 SAM  A 501 (-4.7A)
SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
 0.28A 5n5dA-2avdA:
28.4		 5n5dA-2avdA:
34.60
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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		4 SER A 158
ILE A 103
GLU A  96
ASP A 100
 None
 1.05A 5n5dA-2c1hA:
2.2		 5n5dA-2c1hA:
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		4 LEU A 652
ILE A 125
GLU A 124
ASP A 128
 None
 0.96A 5n5dA-2gj4A:
3.1		 5n5dA-2gj4A:
13.93
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.
2gmy HYPOTHETICAL PROTEIN
ATU0492

(Agrobacterium
fabrum) 		PF02627
(CMD) 		4 ILE A  98
GLU A 100
ASP A  93
ASN A  46
 None
 0.92A 5n5dA-2gmyA:
undetectable		 5n5dA-2gmyA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ngr PROTEIN (GTPASE
ACTIVATING PROTEIN
(RHG))

(Homo sapiens) 		PF00620
(RhoGAP) 		4 LEU B 446
PHE B 442
ILE B 436
ASN B 422
 None
 1.01A 5n5dA-2ngrB:
undetectable		 5n5dA-2ngrB:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pvp D-ALANINE-D-ALANINE
LIGASE

(Helicobacter
pylori) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 LEU A 279
PHE A 280
ILE A 117
ASP A 281
 None
 0.96A 5n5dA-2pvpA:
undetectable		 5n5dA-2pvpA:
20.96
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.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		4 LEU A 164
PHE A 168
ILE A 149
ASN A 153
 None
EDO  A 298 ( 4.9A)
None
None
 1.02A 5n5dA-2qhpA:
3.9		 5n5dA-2qhpA:
19.42
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.
2vsi 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF01128
(IspD) 		4 ILE A 107
GLU A 105
ASP A 134
ASN A 132
 None
 0.94A 5n5dA-2vsiA:
3.4		 5n5dA-2vsiA:
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.
2wbv FIBER PROTEIN

(Canine
mastadenovirus
A) 		no annotation 4 LEU A 512
PHE A 514
SER A 419
ILE A 477
 None
None
SIA  A1545 (-4.4A)
None
 1.06A 5n5dA-2wbvA:
undetectable		 5n5dA-2wbvA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		4 LEU A 415
SER A 411
ILE A 388
GLU A 387
 NAD  A 500 ( 4.6A)
None
None
NAD  A 500 (-2.8A)
 0.99A 5n5dA-3b4wA:
5.3		 5n5dA-3b4wA:
18.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 SER A  72
ILE A  89
GLU A  90
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.29A 5n5dA-3bwmA:
22.8		 5n5dA-3bwmA:
30.67
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		4 PHE A  80
SER A  84
ILE A 101
ASP A 154
 SAH  A 464 (-4.9A)
SAH  A 464 (-2.8A)
None
CA  A 238 ( 2.2A)
 0.40A 5n5dA-3c3yA:
27.3		 5n5dA-3c3yA:
27.82
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 LEU A 652
ILE A 125
GLU A 124
ASP A 128
 None
 0.91A 5n5dA-3cemA:
3.2		 5n5dA-3cemA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE X  85
GLU X 181
ASP X  26
ASN X  17
 None
 1.05A 5n5dA-3e3bX:
undetectable		 5n5dA-3e3bX:
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.
3eqz RESPONSE REGULATOR

(Colwellia
psychrerythraea) 		PF00072
(Response_reg) 		4 LEU A  41
SER A  72
ILE A  77
ASP A  47
 LEU  A  41 ( 0.6A)
SER  A  72 ( 0.0A)
ILE  A  77 ( 0.7A)
ASP  A  47 ( 0.6A)
 0.94A 5n5dA-3eqzA:
3.2		 5n5dA-3eqzA:
22.84
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.
3f7w PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Thermobifida
fusca) 		PF03881
(Fructosamin_kin) 		4 LEU A  86
SER A  25
ILE A 127
ASP A 210
 None
 0.99A 5n5dA-3f7wA:
undetectable		 5n5dA-3f7wA:
23.65
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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A 234
ILE A  98
GLU A  66
ASP A  93
 None
 1.03A 5n5dA-3gg9A:
5.1		 5n5dA-3gg9A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gtu GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU B  23
PHE B 161
ILE B 166
ASN B  77
 None
 0.91A 5n5dA-3gtuB:
undetectable		 5n5dA-3gtuB:
17.70
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 PHE A 409
ILE A 480
ASP A 475
ASN A   6
 None
 1.00A 5n5dA-3h7lA:
undetectable		 5n5dA-3h7lA:
17.34
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.
3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Shewanella
oneidensis) 		PF16113
(ECH_2) 		4 LEU A 315
PHE A 319
GLU A 322
ASN A 173
 None
 0.95A 5n5dA-3ju1A:
undetectable		 5n5dA-3ju1A:
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.
3ku0 RIBOSOME-INACTIVATIN
G PROTEIN GELONIN

(Suregada
multiflora) 		PF00161
(RIP) 		4 LEU A  63
ILE A 135
ASP A 141
ASN A  60
 None
 1.06A 5n5dA-3ku0A:
undetectable		 5n5dA-3ku0A:
22.61
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.
3kxi GTP-BINDING PROTEIN
(HFLX)

(Sulfolobus
solfataricus) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		4 LEU A 274
SER A 320
ILE A 331
ASN A 300
 None
None
None
GDP  A 500 (-3.0A)
 0.98A 5n5dA-3kxiA:
2.6		 5n5dA-3kxiA:
18.96
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.
3lm7 PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE /
2-DEHYDRO-3-DEOXYPHO
SPHOGLUCONATE
ALDOLASE

(Yersinia
enterocolitica) 		PF07071
(KDGP_aldolase) 		4 ILE A 221
GLU A 232
ASP A 223
ASN A  23
 None
 1.07A 5n5dA-3lm7A:
2.3		 5n5dA-3lm7A:
22.59
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.
3lms CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 SER A 207
ILE A 202
GLU A 270
ASP A 255
 None
None
GLY  A 501 ( 4.6A)
None
 0.91A 5n5dA-3lmsA:
undetectable		 5n5dA-3lmsA:
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 LEU A 152
SER A 221
ILE A 209
ASN A 237
 None
 1.02A 5n5dA-3pihA:
undetectable		 5n5dA-3pihA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		4 LEU A 186
SER A 190
ILE A 317
ASN A 361
 None
 0.97A 5n5dA-3s2jA:
undetectable		 5n5dA-3s2jA:
24.19
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.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A 337
ILE A  41
ASP A 316
ASN A 329
 None
 0.94A 5n5dA-3twoA:
7.7		 5n5dA-3twoA:
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.
3vz0 PUTATIVE
NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF00171
(Aldedh) 		4 LEU A 389
SER A 385
ILE A 362
GLU A 361
 None
 0.93A 5n5dA-3vz0A:
6.0		 5n5dA-3vz0A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 SER E 282
ILE E 354
GLU E 355
ASP E 348
 None
 0.73A 5n5dA-4a0lE:
undetectable		 5n5dA-4a0lE:
16.18
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.
4d5r A49

(Vaccinia virus) 		PF06489
(Orthopox_A49R) 		4 LEU A  65
PHE A  61
ILE A  42
ASN A  49
 None
 0.93A 5n5dA-4d5rA:
undetectable		 5n5dA-4d5rA:
21.30
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.
4e1t INVASIN

(Yersinia
pseudotuberculosis) 		PF11924
(IAT_beta) 		4 LEU A 301
PHE A 302
GLU A 341
ASN A 384
 None
 1.05A 5n5dA-4e1tA:
undetectable		 5n5dA-4e1tA:
24.12
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.
4f6e SUPEROXIDE DISMUTASE
[MN], MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 LEU A 103
PHE A 202
ILE A 207
ASN A  87
 None
MLY  A 138 ( 3.9A)
MLY  A 206 ( 4.0A)
None
 1.01A 5n5dA-4f6eA:
undetectable		 5n5dA-4f6eA:
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.
4hn8 D-GLUCARATE
DEHYDRATASE

(Pseudomonas
mendocina) 		PF13378
(MR_MLE_C) 		4 LEU A  30
ILE A 237
GLU A 233
ASP A 252
 None
 0.98A 5n5dA-4hn8A:
undetectable		 5n5dA-4hn8A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jyl ENOYL-COA HYDRATASE

(Thermoplasma
volcanium) 		PF00378
(ECH_1) 		4 ILE A   5
GLU A   4
ASP A  32
ASN A  -5
 None
 0.86A 5n5dA-4jylA:
undetectable		 5n5dA-4jylA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nrh COPN
CHAPERONE SYCD

(Chlamydia
pneumoniae;
Chlamydia
pneumoniae) 		PF07201
(HrpJ)
PF07720
(TPR_3) 		4 SER B  51
ILE A 136
GLU A 111
ASN A 104
 None
 1.04A 5n5dA-4nrhB:
undetectable		 5n5dA-4nrhB:
23.04
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Pyrococcus
horikoshii) 		PF01137
(RTC)
PF05189
(RTC_insert) 		4 LEU A 140
PHE A 291
SER A 295
ILE A 335
 None
 0.92A 5n5dA-4o89A:
4.0		 5n5dA-4o89A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		4 LEU A 388
SER A 384
ILE A 361
GLU A 360
 None
 1.07A 5n5dA-4ohtA:
5.5		 5n5dA-4ohtA:
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.
4pav GLYOXALASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF00903
(Glyoxalase) 		4 SER A  17
ILE A  51
GLU A  52
ASP A 116
 None
 0.92A 5n5dA-4pavA:
undetectable		 5n5dA-4pavA:
18.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		4 LEU A  35
ILE A  87
GLU A  88
ASN A 138
 None
None
SAM  A 301 (-2.6A)
SAM  A 301 (-3.4A)
 1.01A 5n5dA-4pclA:
29.6		 5n5dA-4pclA:
31.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 SER A  70
ILE A  87
GLU A  88
ASP A 136
ASN A 138
 SAM  A 301 (-2.9A)
None
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
SAM  A 301 (-3.4A)
 0.22A 5n5dA-4pclA:
29.6		 5n5dA-4pclA:
31.12
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 LEU A 439
PHE A 377
ILE A 374
ASP A 290
 None
None
None
CA  A1204 (-2.8A)
 0.95A 5n5dA-4ptfA:
undetectable		 5n5dA-4ptfA:
11.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4puc SUSD HOMOLOG

(Bacteroides
uniformis) 		PF12741
(SusD-like) 		4 PHE A  67
SER A 107
ILE A  58
ASP A  61
 None
 0.86A 5n5dA-4pucA:
undetectable		 5n5dA-4pucA:
18.98
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		4 LEU A 484
SER A 420
ILE A 181
ASN A 478
 None
None
SGN  A 802 (-4.4A)
UAP  A 801 ( 4.6A)
 1.04A 5n5dA-4pxqA:
undetectable		 5n5dA-4pxqA:
16.41
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.
4qti UROKINASE
PLASMINOGEN
ACTIVATOR SURFACE
RECEPTOR

(Homo sapiens) 		PF00021
(UPAR_LY6) 		4 LEU U 184
PHE U 165
ILE U 130
ASN U 162
 None
 0.89A 5n5dA-4qtiU:
undetectable		 5n5dA-4qtiU:
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.
4r2h STIV B204 ATPASE

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 4 PHE A  53
ILE A  37
ASP A  40
ASN A  56
 None
 1.06A 5n5dA-4r2hA:
3.0		 5n5dA-4r2hA:
18.36
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.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1

(Streptomyces
avermitilis) 		PF00698
(Acyl_transf_1) 		4 LEU A 263
SER A 130
ILE A 124
GLU A 123
 None
 0.97A 5n5dA-4rl1A:
undetectable		 5n5dA-4rl1A:
26.52
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.
4wat PFRH5

(Plasmodium
falciparum) 		no annotation 4 LEU A 479
SER A 485
ILE A 235
GLU A 416
 None
IMD  A1102 (-3.0A)
None
None
 1.05A 5n5dA-4watA:
undetectable		 5n5dA-4watA:
15.76
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.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 LEU A 437
SER A 419
ILE A 441
GLU A 443
 EDO  A 705 (-4.1A)
EDO  A 706 (-3.4A)
None
None
 1.06A 5n5dA-4wd1A:
4.4		 5n5dA-4wd1A:
17.80
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.
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida) 		PF03480
(DctP) 		4 LEU A 175
PHE A 176
ILE A 188
ASN A 181
 None
 1.06A 5n5dA-4xfeA:
undetectable		 5n5dA-4xfeA:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		4 SER A  79
GLU A  98
ASP A 144
ASN A 146
 SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
SAM  A1001 ( 3.5A)
 0.15A 5n5dA-4ymgA:
25.4		 5n5dA-4ymgA:
30.36
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.
4yzf BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF00955
(HCO3_cotransp) 		4 LEU A 530
PHE A 526
SER A 799
ILE A 684
 None
 0.93A 5n5dA-4yzfA:
undetectable		 5n5dA-4yzfA:
13.72
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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 LEU A 336
ILE A 316
ASP A 338
ASN A 311
 None
None
None
NAG  A 705 (-1.8A)
 1.05A 5n5dA-4z64A:
undetectable		 5n5dA-4z64A:
17.57
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.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF02350
(Epimerase_2) 		4 SER A 229
ILE A 142
GLU A  81
ASP A 225
 None
 0.92A 5n5dA-4zhtA:
2.8		 5n5dA-4zhtA:
19.36
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 LEU A 260
SER A 286
ILE A 187
ASN A 235
 ZN  A 501 ( 4.8A)
None
None
None
 0.97A 5n5dA-4zi6A:
2.2		 5n5dA-4zi6A:
18.99
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		4 LEU A1001
ILE A1193
GLU A1056
ASN A1189
 None
 0.99A 5n5dA-5amqA:
undetectable		 5n5dA-5amqA:
7.10
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.
5axh DEXTRANASE

(Thermoanaerobacter
pseudethanolicus) 		PF13199
(Glyco_hydro_66) 		4 LEU A 458
PHE A 420
SER A 461
ASN A 541
 None
None
PO4  A 705 ( 2.6A)
None
 1.05A 5n5dA-5axhA:
undetectable		 5n5dA-5axhA:
15.73
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.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 SER A 255
ILE A 176
ASP A 298
ASN A 170
 None
 0.93A 5n5dA-5clwA:
undetectable		 5n5dA-5clwA:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		5 LEU A 311
PHE A 300
SER A 304
ILE A 430
ASN A 292
 None
 1.48A 5n5dA-5dgoA:
undetectable		 5n5dA-5dgoA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		4 LEU A 422
PHE A 426
SER A 572
ILE A 539
 None
 1.05A 5n5dA-5do7A:
undetectable		 5n5dA-5do7A:
16.67
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.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00784
(MyTH4) 		4 SER A 305
ILE A 253
ASP A 302
ASN A 216
 None
 1.01A 5n5dA-5ejyA:
undetectable		 5n5dA-5ejyA:
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli;
Escherichia
coli) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 LEU B  96
SER B 236
ILE A 199
GLU A 198
 None
 0.72A 5n5dA-5g5gB:
undetectable		 5n5dA-5g5gB:
24.76
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.
5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17

(Sphingomonas
sp. PAMC 26605) 		PF00067
(p450) 		4 LEU A 157
SER A 219
GLU A 114
ASN A 121
 None
 1.05A 5n5dA-5h1zA:
undetectable		 5n5dA-5h1zA:
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.
5has SEC7

(Thielavia
terrestris) 		PF12783
(Sec7_N)
PF16213
(DCB) 		4 LEU A 346
PHE A 316
SER A 320
ILE A 380
 None
 0.96A 5n5dA-5hasA:
undetectable		 5n5dA-5hasA:
17.86
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 LEU A 652
ILE A 125
GLU A 124
ASP A 128
 None
 0.95A 5n5dA-5ikpA:
undetectable		 5n5dA-5ikpA:
14.66
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.
5izd D-GLYCERALDEHYDE
DEHYDROGENASE
(NADP(+))

(Thermoplasma
acidophilum) 		PF00171
(Aldedh) 		4 LEU A 409
SER A 405
ILE A 382
GLU A 381
 None
 0.87A 5n5dA-5izdA:
5.6		 5n5dA-5izdA:
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.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		4 PHE A 309
SER A   9
ASP A  56
ASN A 103
 None
 0.99A 5n5dA-5j55A:
undetectable		 5n5dA-5j55A:
20.12
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		4 LEU A  40
PHE A  80
SER A  13
ILE A 244
 None
 1.00A 5n5dA-5j84A:
2.4		 5n5dA-5j84A:
19.22
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.
5m8b ALPHA-L-ARABINOFURAN
OSIDASE II

(Lactobacillus
brevis) 		PF04616
(Glyco_hydro_43) 		4 LEU A 140
PHE A 138
ILE A 162
ASN A 201
 TRS  A 402 (-4.3A)
None
None
None
 1.04A 5n5dA-5m8bA:
undetectable		 5n5dA-5m8bA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE

(Weissella
cibaria) 		PF04616
(Glyco_hydro_43) 		4 LEU A 138
PHE A 136
ILE A 160
ASN A 199
 GOL  A 404 (-4.3A)
GOL  A 404 (-4.0A)
None
None
 1.03A 5n5dA-5m8eA:
undetectable		 5n5dA-5m8eA:
20.53
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.
5mc9 LAMININ SUBUNIT
ALPHA-1

(Mus musculus) 		PF00054
(Laminin_G_1)
PF06009
(Laminin_II) 		4 PHE A2217
SER A2517
ILE A2214
ASN A2286
 None
 1.03A 5n5dA-5mc9A:
undetectable		 5n5dA-5mc9A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqc VP1
VP2
VP3

(Black queen
cell virus;
Black queen
cell virus;
Black queen
cell virus) 		PF08762
(CRPV_capsid)
PF00073
(Rhv)
no annotation 		4 LEU C 257
ILE A  74
GLU A 111
ASN B 139
 None
 0.90A 5n5dA-5mqcC:
undetectable		 5n5dA-5mqcC:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		4 LEU A  39
PHE A  67
SER A  71
ILE A  64
 SAM  A 306 (-3.5A)
SAM  A 306 (-4.2A)
SAM  A 306 (-2.2A)
None
 0.82A 5n5dA-5n5dA:
43.4		 5n5dA-5n5dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		7 LEU A  39
PHE A  67
SER A  71
ILE A  88
GLU A  89
ASP A 139
ASN A 141
 SAM  A 306 (-3.5A)
SAM  A 306 (-4.2A)
SAM  A 306 (-2.2A)
SAM  A 306 ( 4.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
SAM  A 306 ( 2.9A)
 0.00A 5n5dA-5n5dA:
43.4		 5n5dA-5n5dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 PHE A  67
SER A  72
ILE A  88
GLU A  89
ASN A 141
 SAM  A 306 (-4.2A)
None
SAM  A 306 ( 4.2A)
SAM  A 306 (-2.4A)
SAM  A 306 ( 2.9A)
 1.16A 5n5dA-5n5dA:
43.4		 5n5dA-5n5dA:
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.
5o1p ALPHA-AMINOADIPIC
SEMIALDEHYDE
SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 ILE A 507
GLU A 506
ASP A 548
ASN A 504
 None
 1.00A 5n5dA-5o1pA:
7.0		 5n5dA-5o1pA:
17.51
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.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		4 LEU A 221
PHE A 222
SER A 385
GLU A 226
 836  A1201 (-4.8A)
None
None
None
 1.06A 5n5dA-5v57A:
undetectable		 5n5dA-5v57A:
17.19
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.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		4 PHE A 434
ILE A 425
ASP A 432
ASN A 384
 None
 1.00A 5n5dA-5vf3A:
undetectable		 5n5dA-5vf3A:
21.94
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.
5vgz 26S PROTEASOME
REGULATORY SUBUNIT 7
26S PROTEASOME
REGULATORY SUBUNIT 4

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 LEU A 153
ILE B 115
GLU B 114
ASP B 118
 None
 1.05A 5n5dA-5vgzA:
undetectable		 5n5dA-5vgzA:
18.58
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 4 LEU A 471
SER A  78
ILE A 498
GLU A 468
 None
 0.97A 5n5dA-5wabA:
undetectable		 5n5dA-5wabA:
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.
5x00 NUCLEOSIDE
DIPHOSPHATE KINASE

(Vibrio cholerae) 		no annotation 4 LEU A  63
SER A  69
ILE A  10
ASN A 114
 None
 0.90A 5n5dA-5x00A:
undetectable		 5n5dA-5x00A:
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.
5zji CHLOROPHYLL A-B
BINDING PROTEIN,
CHLOROPLASTIC

(Zea mays) 		no annotation 4 LEU 4 178
SER 4 166
ILE 4 155
ASP 4 160
 CHL  4 618 ( 3.8A)
None
CHL  1 601 (-4.1A)
CHL  4 608 (-3.8A)
 1.04A 5n5dA-5zji4:
undetectable		 5n5dA-5zji4:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 4 SER A  68
ILE A  84
GLU A  85
ASP A 133
 SAM  A 302 (-2.7A)
SAM  A 302 ( 4.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.15A 5n5dA-5zw4A:
25.0		 5n5dA-5zw4A:
28.93
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.
6a91 -

(-) 		no annotation 4 LEU A 662
PHE A 663
SER A 690
ILE A 668
 None
 0.89A 5n5dA-6a91A:
undetectable		 5n5dA-6a91A:
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT A, VACUOLAR
ISOFORM

(Saccharomyces
cerevisiae) 		no annotation 4 PHE A  19
SER A  29
ILE A 334
ASN A 327
 None
 0.94A 5n5dA-6c6lA:
undetectable		 5n5dA-6c6lA:
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 4 LEU A 194
PHE A 195
SER A 358
GLU A 199
 None
 1.00A 5n5dA-6d35A:
undetectable		 5n5dA-6d35A:
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.
6gsw MU CLASS GLUTATHIONE
S-TRANSFERASE OF
ISOENZYME 3-3

(Rattus rattus) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU A  19
PHE A 157
ILE A 162
ASN A  73
 None
 0.90A 5n5dA-6gswA:
undetectable		 5n5dA-6gswA:
23.46