SIMILAR PATTERNS OF AMINO ACIDS FOR 5N5D_A_SAMA306_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.
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