SIMILAR PATTERNS OF AMINO ACIDS FOR 5ESK_A_1YNA701

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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A  26
LEU A 140
ILE A 256
PHE A 102
GLY A 259
 None
None
None
CU  A 556 ( 4.9A)
None
 1.08A 5eskA-1asoA:
undetectable		 5eskA-1asoA:
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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		5 GLY A  34
PHE A 393
ILE A 384
GLY A 319
THR A 341
 None
 1.06A 5eskA-1bl5A:
0.0		 5eskA-1bl5A:
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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		5 GLY M 197
LEU M 357
ILE M 367
PHE M 261
THR M 258
 None
SO4  M 926 ( 4.7A)
None
None
None
 1.17A 5eskA-1dwaM:
0.0		 5eskA-1dwaM:
21.80
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.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 267
LEU A  48
PHE A  19
ILE A 351
GLY A  64
 None
 1.18A 5eskA-1f8fA:
undetectable		 5eskA-1f8fA:
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.
1flc HAEMAGGLUTININ-ESTER
ASE-FUSION
GLYCOPROTEIN

(Influenza C
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase)
PF08720
(Hema_stalk) 		5 GLY A 414
LEU B  25
ILE A   5
GLY B  10
PHE B  45
 None
 1.18A 5eskA-1flcA:
0.0		 5eskA-1flcA:
21.33
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.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		6 GLY A 317
LEU A 322
PHE A  86
TYR A 324
THR A 280
MET A 258
 None
None
LAF  A1337 (-4.4A)
LAF  A1337 (-4.6A)
None
None
 1.48A 5eskA-1gzgA:
0.0		 5eskA-1gzgA:
20.93
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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 GLY A 311
LEU A 333
GLY A 325
PHE A 365
MET A 319
 None
 1.14A 5eskA-1ig8A:
0.0		 5eskA-1ig8A:
22.50
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.
1iug PUTATIVE ASPARTATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		5 GLY A   8
TYR A 265
LEU A 264
PHE A 341
THR A   6
 LLP  A 185 ( 3.5A)
None
None
None
None
 1.12A 5eskA-1iugA:
undetectable		 5eskA-1iugA:
24.53
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.
1jax CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF03807
(F420_oxidored) 		5 GLY A 208
LEU A  16
TYR A  44
GLY A   7
THR A 134
 None
 1.06A 5eskA-1jaxA:
undetectable		 5eskA-1jaxA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 GLY A 261
ILE A 118
GLY A  85
PHE A 376
THR A 263
 None
 1.15A 5eskA-1k1dA:
undetectable		 5eskA-1k1dA:
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 638
LEU A 900
PHE A 904
GLY A 873
THR A 682
 None
None
None
None
CU  A1053 ( 4.0A)
 1.06A 5eskA-1kcwA:
undetectable		 5eskA-1kcwA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1llc L-LACTATE
DEHYDROGENASE

(Lactobacillus
casei) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 307
ILE A 281
PHE A 200
GLY A 193
THR A 165
 None
 0.99A 5eskA-1llcA:
undetectable		 5eskA-1llcA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nph GELSOLIN

(Mus musculus) 		PF00626
(Gelsolin) 		5 GLY A 547
TYR A 464
ILE A 448
PHE A 441
THR A 549
 None
 1.11A 5eskA-1nphA:
undetectable		 5eskA-1nphA:
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.
1nph GELSOLIN

(Mus musculus) 		PF00626
(Gelsolin) 		5 GLY A 547
TYR A 464
PHE A 441
THR A 549
MET A 517
 None
 1.19A 5eskA-1nphA:
undetectable		 5eskA-1nphA:
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 GLY A 237
PHE A 320
GLY A 307
THR A  98
THR A 239
 K  A 502 ( 4.7A)
None
None
None
None
 1.06A 5eskA-1p9eA:
undetectable		 5eskA-1p9eA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 GLY A 160
TYR A  95
GLY A  88
PHE A  78
THR A 162
 None
 1.18A 5eskA-1sfrA:
undetectable		 5eskA-1sfrA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4i AVIDIN

(Gallus gallus) 		PF01382
(Avidin) 		6 GLY A 140
TYR A 233
PHE A 229
ILE A 220
GLY A 265
THR A   8
 None
BTN  A1275 (-4.6A)
None
None
None
None
 1.47A 5eskA-2c4iA:
undetectable		 5eskA-2c4iA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 GLY A 685
LEU A 307
PHE A 285
GLY A 275
THR A  89
 None
 1.14A 5eskA-2d3iA:
undetectable		 5eskA-2d3iA:
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.
2fcc ENDONUCLEASE V

(Escherichia
virus T4) 		PF03013
(Pyr_excise) 		5 GLY A  55
LEU A  24
ILE A  72
PHE A  28
THR A  58
 None
 1.17A 5eskA-2fccA:
undetectable		 5eskA-2fccA:
15.36
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.
2i58 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 GLY A 158
LEU A 362
PHE A 383
ILE A 194
PHE A 359
 None
 1.17A 5eskA-2i58A:
undetectable		 5eskA-2i58A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ich PUTATIVE ATTH

(Nitrosomonas
europaea) 		PF07143
(CrtC)
PF17186
(Lipocalin_9) 		6 GLY A 171
PHE A 333
ILE A 307
GLY A 343
THR A  53
PHE A 244
 None
None
None
None
None
NHE  A   1 (-3.6A)
 1.24A 5eskA-2ichA:
undetectable		 5eskA-2ichA:
22.48
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.
2jfw GLUTAMATE RACEMASE

(Enterococcus
faecium) 		PF01177
(Asp_Glu_race) 		5 GLY A 217
PHE A 250
ILE A 253
PHE A  37
GLY A  16
 None
 0.95A 5eskA-2jfwA:
undetectable		 5eskA-2jfwA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jj4 ACETYLGLUTAMATE
KINASE

(Synechococcus
elongatus) 		PF00696
(AA_kinase) 		5 GLY A  29
LEU A 274
ILE A 270
PHE A 279
THR A  31
 None
 1.10A 5eskA-2jj4A:
undetectable		 5eskA-2jj4A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p0o HYPOTHETICAL PROTEIN
DUF871

(Enterococcus
faecalis) 		PF05913
(DUF871) 		5 GLY A 358
PHE A  28
ILE A   4
TYR A  19
PHE A 231
 None
 1.19A 5eskA-2p0oA:
undetectable		 5eskA-2p0oA:
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 GLY A 102
LEU A 207
GLY A 230
THR A 187
THR A 106
 None
 1.15A 5eskA-2pqdA:
undetectable		 5eskA-2pqdA:
24.11
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 535
LEU A 384
ILE A 376
GLY A 241
THR A 235
 None
None
None
PPY  A5003 (-4.3A)
None
 1.12A 5eskA-2q5oA:
undetectable		 5eskA-2q5oA:
21.74
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.
2q9t DING

(Pseudomonas
fluorescens) 		PF12849
(PBP_like_2) 		5 GLY A 319
TYR A  14
LEU A  20
TYR A  27
THR A 315
 None
 1.11A 5eskA-2q9tA:
undetectable		 5eskA-2q9tA:
20.57
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.
2qag SEPTIN-2

(Homo sapiens) 		PF00735
(Septin) 		5 GLY A 241
PHE A 167
ILE A 171
THR A  98
THR A  52
 None
None
None
None
GDP  A 362 (-3.9A)
 1.19A 5eskA-2qagA:
undetectable		 5eskA-2qagA:
20.68
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.
2qiw PEP PHOSPHONOMUTASE

(Corynebacterium
glutamicum) 		PF13714
(PEP_mutase) 		5 GLY A 228
LEU A  23
ILE A  45
PHE A  11
GLY A 108
 GOL  A 259 (-3.6A)
None
None
None
None
 1.13A 5eskA-2qiwA:
undetectable		 5eskA-2qiwA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		5 GLY A 325
TYR A 280
ILE A 245
TYR A 246
GLY A 285
 None
 0.99A 5eskA-2qzuA:
undetectable		 5eskA-2qzuA:
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.
2rfo NUCLEOPORIN NIC96

(Saccharomyces
cerevisiae) 		PF04097
(Nic96) 		5 TYR A 541
PHE A 534
ILE A 537
GLY A 509
PHE A 212
 None
 1.18A 5eskA-2rfoA:
undetectable		 5eskA-2rfoA:
21.90
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.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		5 GLY A 166
LEU A 121
TYR A 431
GLY A 118
THR A 182
 None
None
None
None
PCA  A  18 ( 4.9A)
 1.09A 5eskA-2yokA:
undetectable		 5eskA-2yokA:
21.10
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.
3b3j HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Rattus
norvegicus) 		PF06325
(PrmA) 		5 GLY A 195
LEU A 270
ILE A 371
PHE A 360
GLY A 291
 None
None
None
BEN  A6001 (-4.8A)
BEN  A6001 (-3.5A)
 0.98A 5eskA-3b3jA:
undetectable		 5eskA-3b3jA:
21.15
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.
3bij UNCHARACTERIZED
PROTEIN GSU0716

(Geobacter
sulfurreducens) 		PF00656
(Peptidase_C14) 		5 GLY A  85
LEU A  79
ILE A   5
GLY A  65
THR A 102
 None
 1.16A 5eskA-3bijA:
undetectable		 5eskA-3bijA:
20.33
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 GLY A 281
ILE A 175
GLY A 149
THR A 119
THR A 264
 None
None
None
PMP  A 431 (-3.4A)
None
 1.11A 5eskA-3bs8A:
undetectable		 5eskA-3bs8A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cg3 UPF0100 PROTEIN
PH0151

(Pyrococcus
horikoshii) 		PF13531
(SBP_bac_11) 		5 GLY A 173
TYR A 260
ILE A 279
THR A 244
PHE A 259
 None
 1.06A 5eskA-3cg3A:
undetectable		 5eskA-3cg3A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dms ISOCITRATE
DEHYDROGENASE [NADP]

(Burkholderia
pseudomallei) 		PF00180
(Iso_dh) 		5 GLY A  36
PHE A 395
ILE A 386
GLY A 321
THR A 343
 None
 1.09A 5eskA-3dmsA:
0.5		 5eskA-3dmsA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 GLY A 403
ILE A 159
TYR A 160
PHE A 137
THR A 107
 None
 1.00A 5eskA-3dwcA:
undetectable		 5eskA-3dwcA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eay SENTRIN-SPECIFIC
PROTEASE 7

(Homo sapiens) 		PF02902
(Peptidase_C48) 		5 LEU A 719
ILE A 967
TYR A 718
GLY A 927
PHE A 938
 None
 1.13A 5eskA-3eayA:
undetectable		 5eskA-3eayA:
19.93
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.
3f1r FIBROBLAST GROWTH
FACTOR 20

(Homo sapiens) 		PF00167
(FGF) 		5 GLY A 173
LEU A 119
ILE A 138
PHE A 190
THR A 174
 None
 1.18A 5eskA-3f1rA:
undetectable		 5eskA-3f1rA:
17.38
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.
3fk4 RUBISCO-LIKE PROTEIN

(Bacillus cereus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 TYR A 292
LEU A 289
THR A   7
PHE A 121
THR A  94
 None
 1.16A 5eskA-3fk4A:
undetectable		 5eskA-3fk4A:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 GLY A 247
LEU A 219
PHE A 195
ILE A 165
THR A 153
 None
 1.18A 5eskA-3gq9A:
undetectable		 5eskA-3gq9A:
20.37
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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		5 GLY A 231
TYR A  26
LEU A  32
ILE A  57
PHE A  25
 None
 1.08A 5eskA-3hq0A:
undetectable		 5eskA-3hq0A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN

(Streptococcus
thermophilus) 		PF00497
(SBP_bac_3) 		5 LEU A 106
ILE A  90
GLY A 102
THR A  32
THR A 244
 None
 1.14A 5eskA-3hv1A:
0.7		 5eskA-3hv1A:
20.48
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 GLY A  14
PHE A  79
ILE A  81
GLY A 235
THR A 244
 FAD  A 536 (-3.3A)
VAK  A 537 (-4.7A)
None
None
None
 1.13A 5eskA-3ihgA:
undetectable		 5eskA-3ihgA:
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.
3iic CHEC DOMAIN PROTEIN

(Shewanella
loihica) 		PF13690
(CheX) 		5 GLY A  90
LEU A  65
ILE A 142
TYR A 143
THR A  93
 None
 1.17A 5eskA-3iicA:
undetectable		 5eskA-3iicA:
14.77
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.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		5 GLY A 249
LEU A 281
ILE A 265
PHE A 238
MET A 242
 None
 1.17A 5eskA-3lx6A:
undetectable		 5eskA-3lx6A:
21.75
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 GLY A 493
LEU A 405
ILE A 420
GLY A 410
THR A 413
 None
 1.17A 5eskA-3o8oA:
undetectable		 5eskA-3o8oA:
22.04
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.
3q4d POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE
MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  41
TYR A   9
PHE A 102
GLY A  66
THR A  38
 None
 1.12A 5eskA-3q4dA:
undetectable		 5eskA-3q4dA:
20.67
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.
3rkx BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Staphylococcus
aureus) 		PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		6 GLY A 190
LEU A 245
ILE A  71
TYR A 242
PHE A 110
MET A 137
 None
 1.37A 5eskA-3rkxA:
undetectable		 5eskA-3rkxA:
21.81
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.
3w9v PHOSPHATE-BINDING
PROTEIN

(unidentified
prokaryotic
organism) 		PF12849
(PBP_like_2) 		5 GLY A 325
TYR A  14
LEU A  20
TYR A  27
THR A 321
 None
 1.03A 5eskA-3w9vA:
undetectable		 5eskA-3w9vA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		5 TYR A 385
ILE A 377
GLY A 372
THR A 312
THR A 318
 None
 1.12A 5eskA-3wrfA:
0.7		 5eskA-3wrfA:
21.82
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 GLY A 250
LEU A 268
PHE A 303
ILE A 295
PHE A 264
 None
 1.00A 5eskA-3zh4A:
undetectable		 5eskA-3zh4A:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aut DECAPRENYL-PHOSPHORY
L-BETA-D-RIBOFURANOS
E-2-OXIDOREDUCTASE

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 150
LEU A 108
GLY A 116
THR A 201
MET A 198
 None
 1.18A 5eskA-4autA:
undetectable		 5eskA-4autA:
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.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 GLY A 110
TYR A  61
LEU A  99
ILE A  85
PHE A 131
 None
 0.93A 5eskA-4ay1A:
undetectable		 5eskA-4ay1A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b4o EPIMERASE FAMILY
PROTEIN SDR39U1

(Homo sapiens) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		5 GLY A 186
LEU A 161
ILE A  12
GLY A 217
THR A 224
 None
None
NDP  A 999 (-3.8A)
None
None
 1.19A 5eskA-4b4oA:
undetectable		 5eskA-4b4oA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		5 GLY A 501
LEU A 149
ILE A 469
GLY A 218
THR A 494
 None
None
PGE  A1554 ( 4.7A)
None
None
 1.18A 5eskA-4be9A:
undetectable		 5eskA-4be9A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cij GST REP

(Geobacillus
stearothermophilus) 		PF02486
(Rep_trans) 		5 GLY A  76
LEU A  36
GLY A  85
THR A  82
THR A  14
 None
 1.12A 5eskA-4cijA:
undetectable		 5eskA-4cijA:
20.57
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.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 356
TYR A 132
LEU A 131
GLY A 207
THR A 161
 None
 1.14A 5eskA-4e4uA:
undetectable		 5eskA-4e4uA:
21.38
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.
4e5t MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Labrenzia
alexandrii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 362
TYR A 132
LEU A 131
GLY A 213
THR A 167
 None
 1.16A 5eskA-4e5tA:
undetectable		 5eskA-4e5tA:
21.16
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.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 GLY A 206
LEU A 228
ILE A 122
THR A 187
THR A 208
 None
 1.09A 5eskA-4idmA:
undetectable		 5eskA-4idmA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j4b PYLD

(Methanosarcina
barkeri) 		no annotation 5 LEU A 101
PHE A  63
PHE A 108
THR A 125
PHE A  76
 None
0TF  A 904 (-3.8A)
None
NAI  A 901 (-3.4A)
None
 1.18A 5eskA-4j4bA:
undetectable		 5eskA-4j4bA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mqb THYMIDYLATE KINASE

(Staphylococcus
aureus) 		PF02223
(Thymidylate_kin) 		5 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.17A 5eskA-4mqbA:
undetectable		 5eskA-4mqbA:
19.25
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.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		5 GLY A 150
TYR A 196
ILE A 194
GLY A 210
THR A 152
 None
X1X  A 401 (-3.7A)
None
None
None
 1.18A 5eskA-4nx1A:
undetectable		 5eskA-4nx1A:
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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		6 TYR A 123
PHE A 112
ILE A 115
PHE A 110
GLY A 109
THR A 149
 None
 1.50A 5eskA-4qfuA:
undetectable		 5eskA-4qfuA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		5 GLY A 111
ILE A 214
GLY A 223
PHE A 205
THR A 110
 None
 1.16A 5eskA-4qnwA:
undetectable		 5eskA-4qnwA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLY A  25
LEU A 167
PHE A 159
PHE A 142
GLY A  86
 None
None
None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.0A)
 1.06A 5eskA-4uy6A:
undetectable		 5eskA-4uy6A:
19.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		6 GLY A  69
TYR A 122
LEU A 125
PHE A 130
TYR A 136
PHE A 229
 None
VOR  A 590 (-3.8A)
None
VOR  A 590 (-4.6A)
HEM  A 580 (-4.6A)
None
 1.19A 5eskA-4uymA:
51.9		 5eskA-4uymA:
45.50
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLY A 662
LEU A 398
ILE A 355
GLY A 351
THR A 408
 None
 1.13A 5eskA-4uzsA:
undetectable		 5eskA-4uzsA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v20 CELLOBIOHYDROLASE

(Aspergillus
fumigatus) 		PF00840
(Glyco_hydro_7) 		5 GLY A 153
LEU A 108
TYR A 425
GLY A 105
THR A 169
 None
 1.12A 5eskA-4v20A:
undetectable		 5eskA-4v20A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xml HEAVY CHAIN OF HIV-1
GP120 V3-SPECIFIC
HUMAN MONOCLONAL
ANTIBODY 2424

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  84
LEU H  20
GLY H 104
PHE H  67
THR H  87
 None
 1.00A 5eskA-4xmlH:
undetectable		 5eskA-4xmlH:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xmp HEAVY CHAIN OF
ANTIBODY VRC08

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  85
LEU H  80
ILE H  34
GLY H 104
THR H  87
 None
 1.09A 5eskA-4xmpH:
undetectable		 5eskA-4xmpH:
18.32
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.
4xmp HEAVY CHAIN OF
ANTIBODY VRC08

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  85
LEU H  80
ILE H  34
PHE H  63
THR H  87
 None
 1.12A 5eskA-4xmpH:
undetectable		 5eskA-4xmpH:
18.32
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.
4yj5 PYRUVATE KINASE PKM

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLY A 189
LEU A 211
ILE A 299
GLY A 208
THR A 121
 None
 0.92A 5eskA-4yj5A:
undetectable		 5eskA-4yj5A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aid MEP2

(Candida
albicans) 		PF00909
(Ammonium_transp) 		5 PHE A 119
TYR A 122
PHE A  85
THR A 166
THR A 156
 None
 1.14A 5eskA-5aidA:
undetectable		 5eskA-5aidA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5awn HEAVY CHAIN OF
3BC176 FAB

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  85
LEU H  80
ILE H  34
PHE H  63
THR H  87
 None
 1.10A 5eskA-5awnH:
undetectable		 5eskA-5awnH:
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.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 GLY A  16
LEU A  81
PHE A 112
GLY A 101
THR A  18
 None
 1.12A 5eskA-5cbkA:
undetectable		 5eskA-5cbkA:
20.22
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
NON-CATALYTIC
SUBUNIT TRM6

(Homo sapiens) 		PF04189
(Gcd10p) 		5 GLY B  63
LEU B  54
GLY B  71
THR B  69
THR B 159
 None
 0.97A 5eskA-5ccxB:
undetectable		 5eskA-5ccxB:
21.80
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.
5cgy HEAVY CHAIN OF FAB

(Homo sapiens) 		no annotation 5 GLY H  89
ILE H  34
GLY H 118
PHE H  64
THR H  91
 None
 1.04A 5eskA-5cgyH:
undetectable		 5eskA-5cgyH:
19.09
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.
5cgy HEAVY CHAIN OF FAB

(Homo sapiens) 		no annotation 5 GLY H  89
LEU H  81
ILE H  34
PHE H  64
THR H  91
 None
 1.12A 5eskA-5cgyH:
undetectable		 5eskA-5cgyH:
19.09
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.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 GLY A  16
LEU A  81
PHE A 112
GLY A 101
THR A  18
 None
 1.19A 5eskA-5dnwA:
undetectable		 5eskA-5dnwA:
19.81
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 GLY A 307
LEU A  80
PHE A  63
GLY A  65
PHE A  75
 NA  A 401 (-4.3A)
None
None
None
None
 1.12A 5eskA-5ey7A:
undetectable		 5eskA-5ey7A:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		11 GLY A  65
TYR A 118
LEU A 121
PHE A 126
ILE A 131
TYR A 132
PHE A 228
GLY A 307
THR A 311
PHE A 380
MET A 508
 X2N  A 590 ( 4.0A)
X2N  A 590 ( 4.0A)
X2N  A 590 (-4.6A)
X2N  A 590 (-4.8A)
X2N  A 590 (-4.2A)
HEM  A 580 (-4.1A)
X2N  A 590 (-4.9A)
X2N  A 590 (-3.5A)
HEM  A 580 (-3.6A)
X2N  A 590 ( 4.8A)
X2N  A 590 (-4.8A)
 0.43A 5eskA-5fsaA:
56.0		 5eskA-5fsaA:
59.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 LEU A 121
TYR A 118
PHE A 228
GLY A 307
THR A 311
 X2N  A 590 (-4.6A)
X2N  A 590 ( 4.0A)
X2N  A 590 (-4.9A)
X2N  A 590 (-3.5A)
HEM  A 580 (-3.6A)
 1.18A 5eskA-5fsaA:
56.0		 5eskA-5fsaA:
59.05
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.
5g37 41.9 KDA
INSECTICIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		5 GLY A 265
PHE A  95
ILE A  66
GLY A  90
PHE A 279
 None
 1.11A 5eskA-5g37A:
undetectable		 5eskA-5g37A:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		11 GLY A  73
TYR A 126
LEU A 129
PHE A 134
ILE A 139
TYR A 140
PHE A 236
GLY A 314
THR A 318
PHE A 384
THR A 507
 None
VOR  A 602 ( 3.8A)
None
VOR  A 602 (-4.7A)
VOR  A 602 (-4.3A)
HEM  A 601 (-4.3A)
VOR  A 602 (-4.4A)
VOR  A 602 (-3.0A)
HEM  A 601 (-3.4A)
None
None
 0.47A 5eskA-5hs1A:
63.2		 5eskA-5hs1A:
99.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 LEU A 129
TYR A 126
PHE A 236
GLY A 314
THR A 318
 None
VOR  A 602 ( 3.8A)
VOR  A 602 (-4.4A)
VOR  A 602 (-3.0A)
HEM  A 601 (-3.4A)
 1.19A 5eskA-5hs1A:
63.2		 5eskA-5hs1A:
99.81
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.
5j1d PHOSPHATE BINDING
PROTEIN

(Stenotrophomonas
maltophilia) 		PF12849
(PBP_like_2) 		5 GLY A 315
TYR A  16
LEU A  24
TYR A  30
THR A 311
 None
 1.01A 5eskA-5j1dA:
undetectable		 5eskA-5j1dA:
21.55
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.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU A 168
ILE A 222
GLY A 177
PHE A 296
THR A 259
 None
 1.17A 5eskA-5j9gA:
undetectable		 5eskA-5j9gA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		12 GLY A  74
TYR A 127
LEU A 130
PHE A 135
ILE A 140
TYR A 141
PHE A 237
GLY A 315
THR A 319
PHE A 385
THR A 510
MET A 512
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 3.8A)
None
1YN  A 602 ( 4.6A)
1YN  A 602 (-4.4A)
HEM  A 601 (-4.2A)
1YN  A 602 (-4.5A)
1YN  A 602 ( 3.6A)
HEM  A 601 ( 3.5A)
1YN  A 602 (-4.8A)
1YN  A 602 (-3.8A)
1YN  A 602 (-3.5A)
 0.72A 5eskA-5jlcA:
57.6		 5eskA-5jlcA:
83.88
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 GLY A 288
LEU A 323
ILE A 353
GLY A 307
MET A 281
 NAG  A 905 (-3.5A)
None
None
None
None
 1.09A 5eskA-5m60A:
undetectable		 5eskA-5m60A:
19.84
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		5 GLY A 221
PHE A 145
ILE A 198
PHE A 191
GLY A 140
 None
 1.08A 5eskA-5m7rA:
undetectable		 5eskA-5m7rA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 378
LEU A 422
ILE A 433
TYR A 435
GLY A 405
 None
 1.11A 5eskA-5neuA:
undetectable		 5eskA-5neuA:
21.35
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.
5tg8 HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 205
TYR A 127
PHE A 161
PHE A 125
THR A 203
 None
 1.07A 5eskA-5tg8A:
undetectable		 5eskA-5tg8A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		5 GLY A 221
PHE A 145
ILE A 198
PHE A 191
GLY A 140
 None
 1.03A 5eskA-5uhkA:
undetectable		 5eskA-5uhkA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 139
TYR A 184
LEU A 187
ILE A 161
THR A 142
 None
 1.14A 5eskA-5utuA:
undetectable		 5eskA-5utuA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1
ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae) 		no annotation 5 GLY B 320
LEU A  62
PHE A 171
ILE A 253
PHE A  34
 None
 1.17A 5eskA-5y58B:
undetectable		 5eskA-5y58B:
9.04
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.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 5 GLY A 315
TYR A 135
TYR A 149
GLY A 198
THR A  81
 EQG  A 504 (-3.5A)
None
None
None
None
 1.14A 5eskA-6c4gA:
undetectable		 5eskA-6c4gA:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT F
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus) 		no annotation 5 LEU B  47
ILE B   2
GLY C  12
THR C  16
THR B  39
 None
 1.04A 5eskA-6cfwB:
undetectable		 5eskA-6cfwB:
11.48
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.
6er3 BNR/ASP-BOX REPEAT
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 GLY A 160
LEU A  86
PHE A 144
PHE A 146
THR A  41
 None
 1.14A 5eskA-6er3A:
undetectable		 5eskA-6er3A:
10.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bru ELASTASE

(Sus scrofa) 		PF00089
(Trypsin) 		4 ALA P 183
PRO P 198
LEU P 123
HIS P 210
 None
 1.48A 5eskA-1bruP:
undetectable		 5eskA-1bruP:
18.50
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.
1c9e PROTOHEME FERROLYASE

(Bacillus
subtilis) 		PF00762
(Ferrochelatase) 		4 ALA A 292
PRO A  55
LEU A 263
HIS A 262
 None
None
MP1  A 800 ( 4.5A)
None
 1.44A 5eskA-1c9eA:
undetectable		 5eskA-1c9eA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ct9 ASPARAGINE
SYNTHETASE B

(Escherichia
coli) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 ALA A 338
PRO A 228
LEU A 267
HIS A 268
 None
 1.48A 5eskA-1ct9A:
0.0		 5eskA-1ct9A:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ALA A  72
PRO A 367
LEU A 333
HIS A 331
 None
 1.37A 5eskA-1fnoA:
0.0		 5eskA-1fnoA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		4 ALA A 175
PRO A 169
LEU A 221
HIS A 223
 None
 1.26A 5eskA-1h3gA:
0.0		 5eskA-1h3gA:
21.35
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 ALA A  16
PRO A  24
LEU A 663
HIS A 660
 None
 1.36A 5eskA-1j1wA:
undetectable		 5eskA-1j1wA:
22.18
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.
1jj7 PEPTIDE TRANSPORTER
TAP1

(Homo sapiens) 		PF00005
(ABC_tran) 		4 ALA A 652
PRO A 661
LEU A 577
HIS A 578
 None
 1.22A 5eskA-1jj7A:
0.0		 5eskA-1jj7A:
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.
1jsx GLUCOSE-INHIBITED
DIVISION PROTEIN B

(Escherichia
coli) 		PF02527
(GidB) 		4 ALA A 140
PRO A  76
LEU A  50
HIS A  53
 None
 1.47A 5eskA-1jsxA:
0.0		 5eskA-1jsxA:
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.
1m33 BIOH PROTEIN

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		4 ALA A 167
PRO A 171
LEU A  83
HIS A  20
 None
None
3OH  A 300 (-4.2A)
None
 1.47A 5eskA-1m33A:
0.0		 5eskA-1m33A:
19.26
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.
1s2n EXTRACELLULAR
SUBTILISIN-LIKE
SERINE PROTEINASE

(Vibrio sp.
PA-44) 		PF00082
(Peptidase_S8) 		4 ALA A 207
PRO A 224
LEU A 129
HIS A  70
 None
None
None
PMS  A1284 (-4.1A)
 1.29A 5eskA-1s2nA:
undetectable		 5eskA-1s2nA:
20.26
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ALA A  94
PRO A 353
LEU A 156
HIS A 148
 None
 1.27A 5eskA-1sb3A:
undetectable		 5eskA-1sb3A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1shz RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF09128
(RGS-like) 		4 ALA C 108
PRO C  72
LEU C  79
HIS C  80
 None
 1.34A 5eskA-1shzC:
1.6		 5eskA-1shzC:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 ALA A  28
PRO A 202
LEU A 147
HIS A 148
 None
None
None
FEO  A 501 (-2.8A)
 1.27A 5eskA-1ycgA:
undetectable		 5eskA-1ycgA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dfa HYPOTHETICAL UPF0271
PROTEIN TTHB195

(Thermus
thermophilus) 		PF03746
(LamB_YcsF) 		4 ALA A   9
PRO A  63
LEU A 141
HIS A 107
 None
 1.37A 5eskA-2dfaA:
undetectable		 5eskA-2dfaA:
19.60
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 ALA A  33
PRO A  37
LEU A   9
HIS A   8
 None
 1.49A 5eskA-2hnhA:
3.3		 5eskA-2hnhA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		4 ALA A 279
PRO A 403
LEU A 409
HIS A 408
 None
None
None
EDO  A1010 ( 3.8A)
 1.25A 5eskA-2hp3A:
undetectable		 5eskA-2hp3A:
22.60
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.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		4 ALA A 166
PRO A 242
LEU A 213
HIS A 246
 None
 1.17A 5eskA-2ja2A:
undetectable		 5eskA-2ja2A:
23.52
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.
2p2c CASPASE-2

(Homo sapiens) 		PF00656
(Peptidase_C14)
PF12796
(Ank_2)
PF13637
(Ank_4) 		4 ALA P 141
PRO B 275
LEU P  86
HIS P  85
 None
 1.33A 5eskA-2p2cP:
undetectable		 5eskA-2p2cP:
16.57
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.
2p6r AFUHEL308 HELICASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ALA A 333
PRO A  76
LEU A 150
HIS A 148
 None
 1.19A 5eskA-2p6rA:
1.4		 5eskA-2p6rA:
22.75
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.
2rg2 CHOLOYLGLYCINE
HYDROLASE

(Clostridium
perfringens) 		PF02275
(CBAH) 		4 ALA A 226
PRO A  84
LEU A 142
HIS A 143
 None
GOL  A 336 (-4.2A)
EDO  A 333 ( 4.5A)
None
 1.47A 5eskA-2rg2A:
undetectable		 5eskA-2rg2A:
21.69
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.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		4 ALA A 204
PRO A 136
LEU A 104
HIS A 129
 None
 1.48A 5eskA-2v8jA:
undetectable		 5eskA-2v8jA:
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF13517
(VCBS) 		4 ALA A 361
PRO A 379
LEU A 312
HIS A 291
 None
 1.20A 5eskA-2vc2A:
undetectable		 5eskA-2vc2A:
20.89
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.
2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN

(Thermus
thermophilus) 		PF14589
(NrfD_2) 		4 ALA C  10
PRO C 142
LEU C 202
HIS C 201
 None
 1.25A 5eskA-2vpwC:
undetectable		 5eskA-2vpwC:
18.73
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.
2x7v PROBABLE
ENDONUCLEASE 4

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		4 ALA A 174
PRO A 256
LEU A 216
HIS A 215
 None
None
None
ZN  A1288 (-3.3A)
 1.36A 5eskA-2x7vA:
undetectable		 5eskA-2x7vA:
20.37
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.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 ALA A 272
PRO A 459
LEU A 245
HIS A 248
 None
 1.20A 5eskA-2xy9A:
undetectable		 5eskA-2xy9A:
21.74
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.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 ALA A 250
PRO A 437
LEU A 223
HIS A 226
 None
 1.12A 5eskA-2xydA:
undetectable		 5eskA-2xydA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywg GTP-BINDING PROTEIN
LEPA

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		4 ALA A 195
PRO A 185
LEU A  75
HIS A  76
 None
 1.38A 5eskA-2ywgA:
undetectable		 5eskA-2ywgA:
22.12
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.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		4 ALA A 337
PRO A 363
LEU A 248
HIS A 180
 None
 1.21A 5eskA-3afgA:
undetectable		 5eskA-3afgA:
20.57
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.
3ahy BETA-GLUCOSIDASE

(Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		4 ALA A 284
PRO A 257
LEU A 275
HIS A 194
 None
 1.21A 5eskA-3ahyA:
undetectable		 5eskA-3ahyA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ALA A 177
PRO A 171
LEU A 231
HIS A 233
 None
None
None
ACI  A 806 (-4.4A)
 1.11A 5eskA-3bc9A:
undetectable		 5eskA-3bc9A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eo7 PUTATIVE
NITROREDUCTASE

(Trichormus
variabilis) 		PF00881
(Nitroreductase) 		4 ALA A 200
PRO A 359
LEU A 462
HIS A 461
 None
 0.88A 5eskA-3eo7A:
undetectable		 5eskA-3eo7A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lat BIFUNCTIONAL
AUTOLYSIN

(Staphylococcus
epidermidis) 		PF01510
(Amidase_2) 		4 ALA A 140
PRO A  54
LEU A 103
HIS A  86
 None
 1.40A 5eskA-3latA:
undetectable		 5eskA-3latA:
18.61
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.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 ALA A  75
PRO A 134
LEU A  45
HIS A  46
 None
 1.33A 5eskA-3lpdA:
0.1		 5eskA-3lpdA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mca ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		4 ALA A 427
PRO A 396
LEU A 180
HIS A 179
 None
 1.19A 5eskA-3mcaA:
undetectable		 5eskA-3mcaA:
22.97
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.
3pb9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE-LIK
E PROTEIN

(Homo sapiens) 		PF04389
(Peptidase_M28) 		4 ALA X 244
PRO X 337
LEU X 163
HIS X 162
 None
 1.31A 5eskA-3pb9X:
undetectable		 5eskA-3pb9X:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfm GGDEF DOMAIN PROTEIN

(Pseudomonas
protegens) 		PF00563
(EAL) 		4 ALA A 616
PRO A 432
LEU A 496
HIS A 444
 None
 1.28A 5eskA-3pfmA:
undetectable		 5eskA-3pfmA:
18.23
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.
3pju CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL) 		4 ALA A 616
PRO A 432
LEU A 496
HIS A 444
 None
 1.30A 5eskA-3pjuA:
undetectable		 5eskA-3pjuA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pjx CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL)
PF00990
(GGDEF) 		4 ALA A 616
PRO A 432
LEU A 496
HIS A 444
 None
None
None
EDO  A 651 (-4.0A)
 1.29A 5eskA-3pjxA:
undetectable		 5eskA-3pjxA:
20.76
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.
3shd PHOSPHATASE NUDJ

(Escherichia
coli) 		PF00293
(NUDIX) 		4 ALA A  73
PRO A   4
LEU A  38
HIS A  37
 None
None
None
SO4  A 156 (-3.9A)
 1.47A 5eskA-3shdA:
undetectable		 5eskA-3shdA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 ALA V 398
PRO V 495
LEU V 585
HIS V 584
 None
 1.47A 5eskA-4bxsV:
undetectable		 5eskA-4bxsV:
16.75
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 ALA V 940
PRO V 947
LEU V 635
HIS V 598
 None
 1.13A 5eskA-4bxsV:
undetectable		 5eskA-4bxsV:
16.75
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.
4dzt AQUALYSIN-1

(Thermus
aquaticus) 		PF00082
(Peptidase_S8) 		4 ALA A 207
PRO A 226
LEU A 129
HIS A  70
 None
None
None
PMS  A 301 (-4.2A)
 1.18A 5eskA-4dztA:
undetectable		 5eskA-4dztA:
20.24
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.
4gxp BETA-GLUCOSIDASE
CHIMERIC PROTEIN

(Thermotoga
maritima;
Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		4 ALA A 288
PRO A 261
LEU A 279
HIS A 202
 None
 1.21A 5eskA-4gxpA:
undetectable		 5eskA-4gxpA:
20.56
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.
4h3v OXIDOREDUCTASE
DOMAIN PROTEIN

(Kribbella
flavida) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 124
PRO A 356
LEU A  75
HIS A  98
 None
 1.28A 5eskA-4h3vA:
undetectable		 5eskA-4h3vA:
22.69
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.
4ilt INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		4 ALA A 137
PRO A  86
LEU A 203
HIS A 173
 None
None
None
FE  A 301 (-3.1A)
 1.18A 5eskA-4iltA:
undetectable		 5eskA-4iltA:
13.82
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.
4ilv INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		4 ALA A 137
PRO A  86
LEU A 203
HIS A 173
 None
EDO  A 302 (-4.4A)
None
FE  A 301 ( 3.3A)
 1.14A 5eskA-4ilvA:
undetectable		 5eskA-4ilvA:
18.76
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.
4knk BIFUNCTIONAL
AUTOLYSIN

(Staphylococcus
aureus) 		PF01510
(Amidase_2) 		4 ALA A 345
PRO A 259
LEU A 308
HIS A 291
 None
 1.41A 5eskA-4knkA:
undetectable		 5eskA-4knkA:
18.50
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.
4mdp BETA-GLUCOSIDASE

(Humicola grisea) 		PF00232
(Glyco_hydro_1) 		4 ALA A 294
PRO A 267
LEU A 285
HIS A 205
 None
None
None
PEG  A 504 ( 4.9A)
 1.46A 5eskA-4mdpA:
undetectable		 5eskA-4mdpA:
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.
4n9w GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-2)-PHOSPHAT
IDYLINOSITOL
MANNOSYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF13439
(Glyco_transf_4)
PF13692
(Glyco_trans_1_4) 		4 ALA A 146
PRO A  96
LEU A  91
HIS A  92
 None
 1.24A 5eskA-4n9wA:
undetectable		 5eskA-4n9wA:
22.98
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.
4r0k DIPEPTIDYL-PEPTIDASE
VI

(Bacteroides
thetaiotaomicron) 		PF00877
(NLPC_P60) 		4 ALA A  32
PRO A  62
LEU A 326
HIS A 328
 None
 1.35A 5eskA-4r0kA:
undetectable		 5eskA-4r0kA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT
2-HYDROXYISOBUTYRYL-
COA MUTASE SMALL
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 ALA A 207
PRO A 170
LEU C  15
HIS C  42
 None
 1.33A 5eskA-4r3uA:
undetectable		 5eskA-4r3uA:
22.88
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 ALA A 942
PRO A 921
LEU A 347
HIS A 356
 None
 1.34A 5eskA-4zhjA:
undetectable		 5eskA-4zhjA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		4 ALA A 117
PRO A  82
LEU A 181
HIS A 184
 None
None
None
MG  A 401 ( 4.8A)
 1.49A 5eskA-4zr8A:
undetectable		 5eskA-4zr8A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zz7 METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Oceanimonas
doudoroffii) 		PF00171
(Aldedh) 		4 ALA A 185
PRO A 178
LEU A  36
HIS A   6
 None
 1.41A 5eskA-4zz7A:
undetectable		 5eskA-4zz7A:
20.90
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.
5ci5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudothermotoga
lettingae) 		PF13416
(SBP_bac_8) 		4 ALA A 166
PRO A 155
LEU A 137
HIS A 285
 None
 1.43A 5eskA-5ci5A:
undetectable		 5eskA-5ci5A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csc CITRATE SYNTHASE

(Gallus gallus) 		PF00285
(Citrate_synt) 		4 ALA B 414
PRO B 418
LEU B 250
HIS B 249
 None
 1.40A 5eskA-5cscB:
undetectable		 5eskA-5cscB:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxc RIBOSOME BIOGENESIS
PROTEIN ERB1

(Chaetomium
thermophilum) 		PF00400
(WD40) 		4 ALA B 639
PRO B 628
LEU B 624
HIS B 618
 None
 1.41A 5eskA-5cxcB:
undetectable		 5eskA-5cxcB:
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.
5dne L-ASPARAGINASE

(Cavia porcellus) 		PF00710
(Asparaginase) 		4 ALA A  53
PRO A  64
LEU A  39
HIS A  46
 None
 1.47A 5eskA-5dneA:
undetectable		 5eskA-5dneA:
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.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE

(Deinococcus
radiodurans) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 ALA A 400
PRO A 226
LEU A 187
HIS A 159
 None
None
None
MN  A 805 (-3.4A)
 1.49A 5eskA-5f56A:
0.8		 5eskA-5f56A:
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.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 ALA A  33
PRO A  37
LEU A   9
HIS A   8
 None
 1.48A 5eskA-5fkuA:
2.9		 5eskA-5fkuA:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		4 ALA A  61
PRO A 230
LEU A 376
HIS A 377
 X2N  A 590 (-3.5A)
X2N  A 590 (-4.2A)
X2N  A 590 (-4.3A)
X2N  A 590 (-4.3A)
 0.44A 5eskA-5fsaA:
56.0		 5eskA-5fsaA:
59.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		4 ALA A  69
PRO A 238
LEU A 380
HIS A 381
 None
None
VOR  A 602 (-4.0A)
None
 0.58A 5eskA-5hs1A:
63.2		 5eskA-5hs1A:
99.81
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.
5jbk BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		4 ALA A 284
PRO A 257
LEU A 275
HIS A 195
 None
 1.20A 5eskA-5jbkA:
undetectable		 5eskA-5jbkA:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		4 ALA A  70
PRO A 239
LEU A 381
HIS A 382
 1YN  A 602 (-3.4A)
1YN  A 602 ( 4.8A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-4.2A)
 0.28A 5eskA-5jlcA:
57.6		 5eskA-5jlcA:
83.88
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.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		4 ALA A 119
PRO A 225
LEU A  87
HIS A  88
 None
None
None
EDO  A 302 (-4.5A)
 1.19A 5eskA-5ko5A:
undetectable		 5eskA-5ko5A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m04 GTPASE OBGE/CGTA

(Escherichia
coli) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		4 ALA A 274
PRO A 215
LEU A 244
HIS A 243
 None
 1.36A 5eskA-5m04A:
undetectable		 5eskA-5m04A:
20.90
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.
5nla PUTATIVE
TRANSCRIPTIONAL
REGULATOR
TRANSCRIPTION
REGULATOR PROTEIN

(Sinorhizobium
meliloti) 		PF12833
(HTH_18)
PF14525
(AraC_binding_2) 		4 ALA A 167
PRO A  86
LEU A  75
HIS A 107
 None
 1.45A 5eskA-5nlaA:
undetectable		 5eskA-5nlaA:
23.33
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.
5ny5 3,4-DIHYDROXYBENZOAT
E DECARBOXYLASE

(Enterobacter
cloacae) 		PF01977
(UbiD) 		4 ALA A 186
PRO A 302
LEU A 172
HIS A 170
 None
 1.35A 5eskA-5ny5A:
undetectable		 5eskA-5ny5A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 4 ALA A 209
PRO A 228
LEU A 131
HIS A  72
 None
 1.31A 5eskA-5wslA:
undetectable		 5eskA-5wslA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xtc NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Homo sapiens) 		no annotation 4 ALA i 192
PRO i 262
LEU i 211
HIS i 186
 None
 1.46A 5eskA-5xtci:
undetectable		 5eskA-5xtci:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 ALA C 217
PRO C 229
LEU C 299
HIS C 271
 None
 1.42A 5eskA-5y6qC:
undetectable		 5eskA-5y6qC:
8.94
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.
6d14 TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio) 		no annotation 4 ALA A 154
PRO A 299
LEU A 160
HIS A 159
 None
 1.35A 5eskA-6d14A:
undetectable		 5eskA-6d14A:
10.26
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 4 ALA B 231
PRO B 392
LEU B 389
HIS B 387
 None
 1.32A 5eskA-6f0kB:
undetectable		 5eskA-6f0kB:
9.94
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 4 ALA A 493
PRO A 411
LEU A 160
HIS A 522
 None
 1.15A 5eskA-6f72A:
undetectable		 5eskA-6f72A:
9.94
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 ALA A1449
PRO A1323
LEU A1024
HIS A1512
 None
 1.47A 5eskA-6fb3A:
undetectable		 5eskA-6fb3A:
10.25
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.
6fth EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		no annotation 4 ALA A  61
PRO A  28
LEU A 395
HIS A  79
 None
 1.43A 5eskA-6fthA:
undetectable		 5eskA-6fthA:
10.41
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.
6g43 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 4 ALA A  68
PRO A 287
LEU A 125
HIS A 126
 None
 1.22A 5eskA-6g43A:
undetectable		 5eskA-6g43A:
9.80
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.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 4 ALA A  68
PRO A 287
LEU A 125
HIS A 126
 None
 1.23A 5eskA-6g45A:
undetectable		 5eskA-6g45A:
9.80