SIMILAR PATTERNS OF AMINO ACIDS FOR 5ESH_A_1YNA602_1

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.
1fbv SIGNAL TRANSDUCTION
PROTEIN CBL

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3)
PF14447
(Prok-RING_4) 		5 LEU A  88
PHE A 115
GLY A 110
THR A  50
MET A 119
 None
 1.04A 5eshA-1fbvA:
0.1		 5eshA-1fbvA:
19.57
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.
1hw2 FATTY ACID
METABOLISM REGULATOR
PROTEIN

(Escherichia
coli) 		PF00392
(GntR)
PF07840
(FadR_C) 		5 ALA A  87
LEU A  97
PHE A 112
ILE A 113
GLY A 151
 None
 1.16A 5eshA-1hw2A:
0.0		 5eshA-1hw2A:
17.16
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		5 ALA A 735
ILE A  81
TYR A   8
THR A 637
LEU A 663
 None
 1.18A 5eshA-1j1wA:
undetectable		 5eshA-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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 LEU A  46
ILE A 956
GLY A 950
LEU A 938
PHE A 225
 None
 1.16A 5eshA-1jqoA:
undetectable		 5eshA-1jqoA:
21.45
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.
1pho PHOSPHOPORIN

(Escherichia
coli) 		PF00267
(Porin_1) 		5 ALA A 261
LEU A 273
ILE A 326
GLY A 280
THR A 254
 None
 1.10A 5eshA-1phoA:
undetectable		 5eshA-1phoA:
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.
1sgq STREPTOMYCES GRISEUS
PROTEINASE B

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 ALA E 192
ILE E 113
PHE E  52
GLY E  86
THR E  65
 None
 1.19A 5eshA-1sgqE:
undetectable		 5eshA-1sgqE:
16.98
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.
1t0b THUA-LIKE PROTEIN

(Geobacillus
stearothermophilus) 		PF06283
(ThuA) 		5 ALA A  48
LEU A  57
PHE A 185
ILE A 161
GLY A 182
 None
 1.19A 5eshA-1t0bA:
undetectable		 5eshA-1t0bA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 ALA A  54
ILE A 210
GLY A 213
THR A 216
LEU A 184
 None
 1.08A 5eshA-1tisA:
undetectable		 5eshA-1tisA:
17.39
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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ALA A 188
PHE A  14
ILE A  12
PHE A 120
LEU A  68
 None
 1.10A 5eshA-1tuoA:
undetectable		 5eshA-1tuoA:
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.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 LEU A  19
TYR A  76
PHE A  83
THR A 260
LEU A 321
 None
ESL  A 471 ( 3.8A)
None
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
 1.04A 5eshA-1x8vA:
34.7		 5eshA-1x8vA:
28.60
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ALA A 210
PHE A 185
ILE A 196
THR A  70
PHE A 203
 None
 1.20A 5eshA-1xpgA:
undetectable		 5eshA-1xpgA:
23.01
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.
2bfr HYPOTHETICAL PROTEIN
AF1521

(Archaeoglobus
fulgidus) 		PF01661
(Macro) 		5 ALA A 127
ILE A 144
TYR A 145
GLY A  40
THR A  59
 None
ADP  A1193 (-3.7A)
ADP  A1193 (-3.4A)
None
None
 1.10A 5eshA-2bfrA:
undetectable		 5eshA-2bfrA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dgk GLUTAMATE
DECARBOXYLASE BETA

(Escherichia
coli) 		PF00282
(Pyridoxal_deC) 		5 ALA A 136
LEU A 295
PHE A 331
GLY A 278
PHE A 262
 None
 1.15A 5eshA-2dgkA:
undetectable		 5eshA-2dgkA:
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 202
PHE A 126
ILE A  51
GLY A  65
THR A  42
 None
 1.21A 5eshA-2dphA:
undetectable		 5eshA-2dphA:
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		5 ALA A 125
LEU A 132
ILE A  15
TYR A 350
GLY A  59
 None
 1.20A 5eshA-2dw6A:
undetectable		 5eshA-2dw6A:
22.14
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		5 ALA A 321
TYR A 380
PHE A 769
TYR A 377
GLY A 398
 None
 1.22A 5eshA-2eaeA:
undetectable		 5eshA-2eaeA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzo UPF0301 PROTEIN
SO3346

(Shewanella
oneidensis) 		PF02622
(DUF179) 		5 ALA A  35
LEU A  27
GLY A  45
LEU A 128
PHE A  84
 None
 1.14A 5eshA-2gzoA:
undetectable		 5eshA-2gzoA:
18.15
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.
2i3f GLYCOLIPID
TRANSFER-LIKE
PROTEIN

(Galdieria
sulphuraria) 		PF08718
(GLTP) 		5 ALA A  70
LEU A  82
GLY A 202
THR A 132
PHE A  35
 None
 1.17A 5eshA-2i3fA:
undetectable		 5eshA-2i3fA:
16.82
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.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 5 ALA A 276
LEU A 274
PHE A 183
ILE A 153
PHE A 180
 None
 1.04A 5eshA-2invA:
undetectable		 5eshA-2invA:
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.
2pm9 PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ALA A   5
LEU A  47
ILE A  76
GLY A  79
LEU A  42
 None
 1.23A 5eshA-2pm9A:
undetectable		 5eshA-2pm9A:
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.
2pvz PRPF METHYLACONITATE
ISOMERASE

(Shewanella
oneidensis) 		PF04303
(PrpF) 		5 ALA A 113
LEU A 110
PHE A 226
ILE A 218
PHE A 181
 None
 1.19A 5eshA-2pvzA:
undetectable		 5eshA-2pvzA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjv UNCHARACTERIZED
IOLB-LIKE PROTEIN

(Salmonella
enterica) 		PF04962
(KduI) 		5 ALA A  94
LEU A  88
TYR A  84
ILE A  81
LEU A  58
 MLY  A  95 ( 3.3A)
None
None
None
None
 1.23A 5eshA-2qjvA:
undetectable		 5eshA-2qjvA:
18.48
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ALA A 177
TYR A  14
ILE A  30
GLY A  34
LEU A 311
 None
 1.09A 5eshA-2qzwA:
undetectable		 5eshA-2qzwA:
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 ALA A 177
TYR A  14
ILE A  30
GLY A  34
LEU A 311
 None
 1.16A 5eshA-2qzxA:
undetectable		 5eshA-2qzxA:
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.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 LEU A 358
PHE A 190
PHE A 269
GLY A 265
PHE A 251
 None
 1.19A 5eshA-2x3nA:
undetectable		 5eshA-2x3nA:
20.61
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 ALA A 440
LEU A 466
ILE A 406
GLY A 555
PHE A 564
 None
 1.20A 5eshA-2yn9A:
undetectable		 5eshA-2yn9A:
19.41
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.
3aeu LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 ALA A 310
LEU A 341
GLY A 231
THR A 229
LEU A 221
 None
 1.22A 5eshA-3aeuA:
undetectable		 5eshA-3aeuA:
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.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		5 LEU A 157
PHE A 270
PHE A 190
GLY A 220
LEU A 236
 None
 1.24A 5eshA-3bczA:
undetectable		 5eshA-3bczA:
18.42
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.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN

(Idiomarina
baltica) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		5 ALA A 307
LEU A 310
ILE A 177
PHE A 241
GLY A 180
 None
 1.24A 5eshA-3bq9A:
undetectable		 5eshA-3bq9A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bu1 LIPOCALIN

(Argas
monolakensis) 		PF02098
(His_binding) 		5 ALA A  49
LEU A  13
TYR A  22
TYR A 138
LEU A  62
 None
 1.18A 5eshA-3bu1A:
undetectable		 5eshA-3bu1A:
14.96
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.
3bxj RAS
GTPASE-ACTIVATING
PROTEIN SYNGAP

(Rattus
norvegicus) 		PF00168
(C2)
PF00616
(RasGAP) 		5 ALA A 679
LEU A 680
ILE A 486
TYR A 482
GLY A 666
 None
 1.23A 5eshA-3bxjA:
undetectable		 5eshA-3bxjA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7v BETA-LACTAMASE
INHIBITORY PROTEIN

(Streptomyces
clavuligerus) 		PF07467
(BLIP) 		5 ALA B  52
LEU B  75
PHE B 151
GLY B 158
PHE B 132
 None
 1.22A 5eshA-3c7vB:
undetectable		 5eshA-3c7vB:
13.96
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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 LEU A 362
ILE A 159
TYR A 160
PHE A 137
THR A 107
 None
 1.06A 5eshA-3dwcA:
undetectable		 5eshA-3dwcA:
22.65
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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 LEU A 362
TYR A 417
ILE A 159
TYR A 160
THR A 107
 None
 1.23A 5eshA-3dwcA:
undetectable		 5eshA-3dwcA:
22.65
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.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ALA A 180
TYR A  14
ILE A  30
GLY A  34
LEU A 309
 None
 1.16A 5eshA-3fv3A:
undetectable		 5eshA-3fv3A:
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.
3gnq GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE, TYPE
I

(Burkholderia
pseudomallei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A 233
ILE A 262
PHE A 248
GLY A 171
LEU A 225
 None
 1.20A 5eshA-3gnqA:
undetectable		 5eshA-3gnqA:
20.18
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.
3h8f CYTOSOL
AMINOPEPTIDASE

(Pseudomonas
putida) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 LEU A 313
PHE A 234
ILE A 226
THR A 270
LEU A 202
 None
 1.15A 5eshA-3h8fA:
undetectable		 5eshA-3h8fA:
23.00
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.
3ibp CHROMOSOME PARTITION
PROTEIN MUKB

(Escherichia
coli) 		PF16330
(MukB_hinge) 		5 ALA A 763
ILE A 689
TYR A 690
GLY A 739
PHE A 749
 None
 1.22A 5eshA-3ibpA:
undetectable		 5eshA-3ibpA:
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.
3ksm ABC-TYPE SUGAR
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Hahella
chejuensis) 		PF13407
(Peripla_BP_4) 		5 ALA A 267
LEU A 241
PHE A 187
LEU A 160
PHE A 253
 None
 1.21A 5eshA-3ksmA:
undetectable		 5eshA-3ksmA:
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.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 TYR A 102
TYR A 115
PHE A 289
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 1.04A 5eshA-3l4dA:
38.7		 5eshA-3l4dA:
29.74
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.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 TYR A 102
TYR A 115
THR A 294
LEU A 355
MET A 459
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
 0.66A 5eshA-3l4dA:
38.7		 5eshA-3l4dA:
29.74
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.
3lot UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF05853
(BKACE) 		5 ALA A 100
LEU A 159
ILE A 208
GLY A 237
PHE A 149
 None
None
None
None
UNL  A 504 ( 4.6A)
 1.02A 5eshA-3lotA:
undetectable		 5eshA-3lotA:
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ALA A 606
PHE A 589
ILE A 594
GLY A 243
THR A 229
 None
 1.21A 5eshA-3lppA:
undetectable		 5eshA-3lppA:
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.
3m1t PUTATIVE
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		5 LEU A 143
PHE A 131
ILE A 114
LEU A 273
PHE A 105
 None
 1.02A 5eshA-3m1tA:
undetectable		 5eshA-3m1tA:
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 ALA A 424
LEU A 450
ILE A 390
GLY A 539
PHE A 548
 None
 1.23A 5eshA-3n23A:
undetectable		 5eshA-3n23A:
19.98
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.
3n5m ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ALA A 324
LEU A 290
ILE A 221
GLY A 262
LEU A 428
 None
 1.08A 5eshA-3n5mA:
undetectable		 5eshA-3n5mA:
23.01
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.
3rwr DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 ALA A  56
ILE A   5
PHE A  86
LEU A 113
PHE A  32
 None
 1.00A 5eshA-3rwrA:
undetectable		 5eshA-3rwrA:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		5 LEU A 930
TYR A 884
ILE A 903
LEU A 980
PHE A 958
 None
 1.21A 5eshA-3s51A:
undetectable		 5eshA-3s51A:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		5 ALA A 407
LEU A  22
ILE A 426
GLY A 745
LEU A 379
 None
 1.12A 5eshA-3wfzA:
undetectable		 5eshA-3wfzA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zhb R-IMINE REDUCTASE

(Streptomyces
kanamyceticus) 		PF03446
(NAD_binding_2) 		5 ALA A  88
LEU A  92
PHE A  38
GLY A 167
THR A 173
 NAP  A1307 (-3.6A)
NAP  A1307 (-4.5A)
None
None
None
 1.16A 5eshA-3zhbA:
undetectable		 5eshA-3zhbA:
19.35
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		5 LEU A 597
ILE A 271
PHE A 236
GLY A 266
MET A 586
 None
 1.20A 5eshA-4aeeA:
undetectable		 5eshA-4aeeA:
21.67
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ALA A 577
LEU A 588
ILE A 154
LEU A 245
PHE A 594
 None
 1.21A 5eshA-4b9yA:
undetectable		 5eshA-4b9yA:
22.01
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12931
(Sec16_C) 		5 ALA A   5
LEU A  47
ILE A  76
GLY A  79
LEU A  42
 None
 1.23A 5eshA-4bzkA:
undetectable		 5eshA-4bzkA:
16.77
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.
4e3e MAOC DOMAIN PROTEIN
DEHYDRATASE

(Chloroflexus
aurantiacus) 		PF01575
(MaoC_dehydratas) 		5 LEU A 115
PHE A  70
ILE A 275
PHE A  74
GLY A 252
 None
 1.06A 5eshA-4e3eA:
undetectable		 5eshA-4e3eA:
20.62
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.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		5 ALA A 132
LEU A 168
ILE A  68
GLY A  62
LEU A  97
 None
 1.16A 5eshA-4h6wA:
undetectable		 5eshA-4h6wA:
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.
4i3f SERINE HYDROLASE
CCSP0084

(Cycloclasticus
sp. P1) 		PF12697
(Abhydrolase_6) 		5 PHE A  63
ILE A  60
PHE A 193
GLY A  33
LEU A 140
 None
None
None
CL  A 301 (-4.0A)
None
 1.20A 5eshA-4i3fA:
undetectable		 5eshA-4i3fA:
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.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 195
LEU A 200
TYR A 344
PHE A  94
GLY A 110
 None
None
None
NAD  A 403 (-4.6A)
None
 1.12A 5eshA-4jlwA:
undetectable		 5eshA-4jlwA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ALA A 307
LEU A 311
ILE A 447
GLY A 333
LEU A 358
 None
 1.15A 5eshA-4jreA:
undetectable		 5eshA-4jreA:
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.
4npc SORBITOL
DEHYDROGENASE

(Brucella suis) 		PF13561
(adh_short_C2) 		5 ALA A  44
LEU A  46
ILE A 171
GLY A 245
LEU A 235
 None
 0.91A 5eshA-4npcA:
undetectable		 5eshA-4npcA:
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.
4o0l NADPH-DEPENDENT
3-QUINUCLIDINONE
REDUCTASE

(Rhodotorula
mucilaginosa) 		PF13561
(adh_short_C2) 		5 ALA A  56
LEU A  58
GLY A 260
THR A 258
LEU A 250
 None
 0.98A 5eshA-4o0lA:
undetectable		 5eshA-4o0lA:
20.92
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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		5 ALA A  80
TYR A 122
PHE A 181
ILE A 176
GLY A 160
 None
 1.18A 5eshA-4ojzA:
undetectable		 5eshA-4ojzA:
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.
4pju COHESIN SUBUNIT SA-2

(Homo sapiens) 		PF08514
(STAG) 		5 ALA A 857
PHE A 768
ILE A 771
TYR A 775
THR A 695
 None
 1.17A 5eshA-4pjuA:
undetectable		 5eshA-4pjuA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q8k ALGINASE

(Pseudoalteromonas
sp. SM0524) 		PF08787
(Alginate_lyase2) 		5 ALA A 208
PHE A 289
GLY A 287
PHE A 378
MET A 247
 None
 1.20A 5eshA-4q8kA:
undetectable		 5eshA-4q8kA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q8l ALGINASE

(Pseudoalteromonas
sp. SM0524) 		PF08787
(Alginate_lyase2) 		5 ALA A  41
PHE A 122
GLY A 120
PHE A 211
MET A  80
 None
 1.19A 5eshA-4q8lA:
undetectable		 5eshA-4q8lA:
18.18
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.
4rv2 MAOC FAMILY PROTEIN
UPF0336 PROTEIN
MSMEG_1340/MSMEI_130
2

(Mycolicibacterium
smegmatis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 LEU B  52
PHE B 104
ILE B  20
GLY B  67
THR A  58
 None
 1.01A 5eshA-4rv2B:
undetectable		 5eshA-4rv2B:
13.05
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.
4rvc ABC TRANSPORTER
ATP-BINDING PROTEIN

(Geobacillus
kaustophilus) 		PF00005
(ABC_tran) 		5 LEU A  91
PHE A  78
ILE A 157
TYR A  80
GLY A  51
 None
 0.97A 5eshA-4rvcA:
undetectable		 5eshA-4rvcA:
17.69
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.
4rz2 SITE-DETERMINING
PROTEIN

(Geobacillus
thermodenitrificans) 		PF10609
(ParA) 		5 PHE A 284
ILE A 119
PHE A 151
THR A 106
LEU A  78
 None
 1.17A 5eshA-4rz2A:
undetectable		 5eshA-4rz2A:
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.
4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 LEU A 196
TYR A 133
ILE A  98
GLY A 145
PHE A   8
 None
None
COA  A 501 (-4.1A)
None
None
 1.23A 5eshA-4xz3A:
undetectable		 5eshA-4xz3A:
23.24
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.
4z5q CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 ALA A 276
LEU A 280
ILE A 239
LEU A 357
PHE A 345
 None
None
P33  A 407 ( 4.5A)
HEM  A 401 (-4.6A)
HEM  A 401 (-4.6A)
 1.15A 5eshA-4z5qA:
25.2		 5eshA-4z5qA:
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.
4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 ALA A 312
LEU A 225
TYR A 171
PHE A 200
MET A 196
 None
 1.10A 5eshA-4zzeA:
1.3		 5eshA-4zzeA:
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A1081
LEU A1093
TYR A 873
GLY A1015
THR A1017
 None
 1.23A 5eshA-5a55A:
undetectable		 5eshA-5a55A:
18.74
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 ALA A 431
LEU A 457
ILE A 397
GLY A 546
PHE A 555
 None
 1.18A 5eshA-5aw4A:
undetectable		 5eshA-5aw4A:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d6o HOMOSERINE
O-ACETYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00561
(Abhydrolase_1) 		5 ALA A 166
LEU A 328
GLY A 206
THR A 185
LEU A 213
 None
GOL  A 407 ( 4.8A)
None
None
None
 1.18A 5eshA-5d6oA:
undetectable		 5eshA-5d6oA:
17.84
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.
5e7s LON PROTEASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C) 		5 ALA A 688
LEU A 766
GLY A 607
THR A 603
LEU A 610
 None
 1.08A 5eshA-5e7sA:
undetectable		 5eshA-5e7sA:
19.93
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) 		8 ALA A  61
LEU A  87
PHE A 126
ILE A 131
TYR A 132
PHE A 228
GLY A 307
MET A 508
 X2N  A 590 (-3.5A)
None
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)
X2N  A 590 (-4.8A)
 1.32A 5eshA-5fsaA:
57.7		 5eshA-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) 		12 ALA A  61
LEU A  88
TYR A 118
PHE A 126
ILE A 131
TYR A 132
PHE A 228
GLY A 307
THR A 311
LEU A 376
PHE A 380
MET A 508
 X2N  A 590 (-3.5A)
None
X2N  A 590 ( 4.0A)
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 (-4.3A)
X2N  A 590 ( 4.8A)
X2N  A 590 (-4.8A)
 0.75A 5eshA-5fsaA:
57.7		 5eshA-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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		5 LEU A 280
TYR A 337
ILE A 492
TYR A 336
PHE A 329
 None
 1.23A 5eshA-5gslA:
undetectable		 5eshA-5gslA:
22.21
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.
5hj7 GLUTAMATE RACEMASE

(Mycobacterium
tuberculosis) 		PF01177
(Asp_Glu_race) 		5 ALA A 246
ILE A 195
GLY A 118
THR A 122
PHE A 254
 None
 1.14A 5eshA-5hj7A:
undetectable		 5eshA-5hj7A:
19.93
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 ALA A  69
LEU A  96
ILE A 139
TYR A 140
LEU A 383
 None
None
VOR  A 602 (-4.3A)
HEM  A 601 (-4.3A)
HEM  A 601 (-4.0A)
 1.10A 5eshA-5hs1A:
63.7		 5eshA-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) 		11 ALA A  69
LEU A  96
TYR A 126
PHE A 134
ILE A 139
TYR A 140
PHE A 236
GLY A 314
THR A 318
LEU A 380
PHE A 384
 None
None
VOR  A 602 ( 3.8A)
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)
VOR  A 602 (-4.0A)
None
 0.59A 5eshA-5hs1A:
63.7		 5eshA-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 TYR A 126
TYR A 140
THR A 318
LEU A 380
MET A 509
 VOR  A 602 ( 3.8A)
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
VOR  A 602 ( 4.2A)
 1.02A 5eshA-5hs1A:
63.7		 5eshA-5hs1A:
99.81
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) 		8 ALA A  70
LEU A  96
PHE A 135
ILE A 140
TYR A 141
PHE A 237
GLY A 315
MET A 512
 1YN  A 602 (-3.4A)
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)
1YN  A 602 (-3.5A)
 1.44A 5eshA-5jlcA:
59.1		 5eshA-5jlcA:
83.88
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) 		8 ALA A  70
LEU A  97
PHE A 237
GLY A 315
THR A 319
LEU A 381
PHE A 385
MET A 512
 1YN  A 602 (-3.4A)
None
1YN  A 602 (-4.5A)
1YN  A 602 ( 3.6A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-4.8A)
1YN  A 602 (-3.5A)
 0.83A 5eshA-5jlcA:
59.1		 5eshA-5jlcA:
83.88
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) 		11 ALA A  70
LEU A  97
TYR A 127
PHE A 135
ILE A 140
TYR A 141
PHE A 237
GLY A 315
THR A 319
LEU A 381
MET A 512
 1YN  A 602 (-3.4A)
None
1YN  A 602 ( 3.8A)
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 ( 4.7A)
1YN  A 602 (-3.5A)
 0.73A 5eshA-5jlcA:
59.1		 5eshA-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.
5jmd HEPARINASE III
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		6 LEU A 575
ILE A 343
GLY A 405
THR A 493
LEU A 505
PHE A 529
 None
 1.34A 5eshA-5jmdA:
undetectable		 5eshA-5jmdA:
22.21
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 ALA A 738
ILE A  83
TYR A  10
GLY A 614
LEU A 666
 None
 1.16A 5eshA-5kvuA:
undetectable		 5eshA-5kvuA:
21.02
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 ALA A 742
ILE A  83
TYR A  10
GLY A 614
LEU A 666
 None
 1.12A 5eshA-5kvuA:
undetectable		 5eshA-5kvuA:
21.02
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.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 ALA A1104
LEU A1064
GLY A 969
THR A 975
MET A1128
 None
 0.86A 5eshA-5l56A:
undetectable		 5eshA-5l56A:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase)
PF03814
(KdpA) 		5 ALA B  67
LEU B 618
ILE A 544
TYR B 587
PHE B 595
 None
 1.05A 5eshA-5mrwB:
undetectable		 5eshA-5mrwB:
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		5 ALA A 265
TYR A 404
ILE A 409
THR A 534
LEU A 531
 None
 1.20A 5eshA-5mrwA:
undetectable		 5eshA-5mrwA:
22.82
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 ALA A 259
LEU A  49
TYR A  41
TYR A 376
GLY A 116
 None
 1.10A 5eshA-5svcA:
undetectable		 5eshA-5svcA:
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.
5ua2 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR KSTR

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  85
PHE A 161
ILE A 181
GLY A 119
MET A 125
 None
 1.20A 5eshA-5ua2A:
2.4		 5eshA-5ua2A:
10.42
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.
5vx6 UNCHARACTERIZED
PROTEIN YPFA

(Bacillus
subtilis) 		no annotation 5 ALA A 138
LEU A 141
ILE A 191
TYR A 188
LEU A 109
 None
 1.05A 5eshA-5vx6A:
undetectable		 5eshA-5vx6A:
15.14
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.
5w19 TRYPTOPHANASE

(Proteus
vulgaris) 		no annotation 5 ALA A 137
LEU A 456
ILE A 417
PHE A 356
GLY A 351
 None
 1.14A 5eshA-5w19A:
undetectable		 5eshA-5w19A:
10.04
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.
5wu7 UNCHARACTERIZED
PROTEIN

(Pyrococcus
horikoshii) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 ALA A 158
LEU A 461
ILE A  73
THR A  11
PHE A 525
 None
 1.15A 5eshA-5wu7A:
undetectable		 5eshA-5wu7A:
22.90
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.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  68
ILE A 369
GLY A 304
LEU A 187
PHE A  10
 None
 1.22A 5eshA-5x5hA:
undetectable		 5eshA-5x5hA:
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.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  73
ILE A 369
GLY A 304
LEU A 187
PHE A  10
 None
 1.20A 5eshA-5x5hA:
undetectable		 5eshA-5x5hA:
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.
5yg7 RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		no annotation 6 ALA A  34
LEU A  61
TYR A 239
ILE A 206
GLY A 202
PHE A 106
 None
None
None
None
RI2  A 401 ( 3.9A)
None
 1.38A 5eshA-5yg7A:
undetectable		 5eshA-5yg7A:
9.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
TYR A 120
PHE A 292
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.0A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 1.16A 5eshA-6ay4A:
42.2		 5eshA-6ay4A:
33.21
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 ALA D 452
ILE D 420
GLY D 611
LEU D 607
PHE D   9
 None
 1.20A 5eshA-6eq8D:
undetectable		 5eshA-6eq8D:
9.50