SIMILAR PATTERNS OF AMINO ACIDS FOR 3JUS_A_ECNA602

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.
1axk GLUXYN-1

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11)
PF00722
(Glyco_hydro_16) 		4 TYR A 225
THR A 223
TYR A 236
GLY A 220
 None
 0.74A 3jusA-1axkA:
0.0		 3jusA-1axkA:
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.
1bt4 PHOSPHOSERINE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF00266
(Aminotran_5) 		4 LEU A  71
GLY A 194
ALA A  77
ILE A  84
 None
PLP  A 363 ( 4.6A)
PLP  A 363 (-3.5A)
None
 0.66A 3jusA-1bt4A:
0.0		 3jusA-1bt4A:
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.
1dl2 CLASS I
ALPHA-1,2-MANNOSIDAS
E

(Saccharomyces
cerevisiae) 		PF01532
(Glyco_hydro_47) 		4 GLY A 343
ALA A 347
THR A 351
ILE A 356
 None
 0.54A 3jusA-1dl2A:
0.6		 3jusA-1dl2A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		4 TYR A  17
GLY A  48
ALA A  46
ILE A  21
 None
 0.75A 3jusA-1gkpA:
0.0		 3jusA-1gkpA:
22.37
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.
1gnz GSI-B4 ISOLECTIN

(Griffonia
simplicifolia) 		PF00139
(Lectin_legB) 		4 LEU A 108
GLY A  24
ALA A  26
ILE A 230
 None
 0.75A 3jusA-1gnzA:
0.0		 3jusA-1gnzA:
19.91
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.
1ih5 AQUAPORIN-1

(Homo sapiens) 		PF00230
(MIP) 		4 LEU A  54
GLY A  30
ALA A  32
ILE A 184
 None
 0.70A 3jusA-1ih5A:
1.4		 3jusA-1ih5A:
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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A  37
THR A  38
GLY A 150
ILE A  84
 None
 0.83A 3jusA-1jedA:
0.0		 3jusA-1jedA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 212
GLY A 192
ALA A 275
ILE A 157
 None
 0.74A 3jusA-1lpfA:
0.0		 3jusA-1lpfA:
24.24
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.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)
PROTEIN (F1-ATPASE
GAMMA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00231
(ATP-synt)
PF02874
(ATP-synt_ab_N) 		5 LEU B 391
GLY G  76
ALA G 228
THR G  17
ILE G  13
 None
 1.09A 3jusA-1mabB:
undetectable		 3jusA-1mabB:
22.83
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.
1nr0 ACTIN INTERACTING
PROTEIN 1

(Caenorhabditis
elegans) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 LEU A 339
THR A 338
GLY A 379
THR A 383
 None
 0.82A 3jusA-1nr0A:
undetectable		 3jusA-1nr0A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ooe DIHYDROPTERIDINE
REDUCTASE

(Caenorhabditis
elegans) 		PF00106
(adh_short) 		4 LEU A 171
THR A 172
ALA A 112
THR A 116
 None
 0.61A 3jusA-1ooeA:
undetectable		 3jusA-1ooeA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 LEU A 321
THR A 320
GLY A 298
ILE A 276
 None
 0.75A 3jusA-1pguA:
undetectable		 3jusA-1pguA:
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.
1sou 5,10-METHENYLTETRAHY
DROFOLATE SYNTHETASE

(Aquifex
aeolicus) 		PF01812
(5-FTHF_cyc-lig) 		4 TYR A  48
GLY A  97
ALA A  95
ILE A  80
 None
 0.84A 3jusA-1souA:
undetectable		 3jusA-1souA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLY B 682
ALA B 686
THR B 690
ILE B 380
 None
 0.75A 3jusA-1t3qB:
undetectable		 3jusA-1t3qB:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		4 LEU A  57
THR A  56
ALA A  42
ILE A 325
 None
 0.84A 3jusA-1ur4A:
undetectable		 3jusA-1ur4A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uyp BETA-FRUCTOSIDASE

(Thermotoga
maritima) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 TYR A  92
THR A  90
GLY A 153
THR A 208
 SO4  A1433 ( 4.8A)
None
None
None
 0.76A 3jusA-1uypA:
undetectable		 3jusA-1uypA:
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		4 LEU B 355
THR B 354
GLY B 350
ILE B 309
 None
 0.81A 3jusA-1vraB:
undetectable		 3jusA-1vraB:
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.
1ytk NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE FROM
THERMOPLASMA
ACIDOPHILUM

(Thermoplasma
acidophilum) 		PF01729
(QRPTase_C) 		4 LEU A 171
GLY A 162
ALA A 160
ILE A 119
 None
 0.76A 3jusA-1ytkA:
undetectable		 3jusA-1ytkA:
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.
1z1e STILBENE SYNTHASE

(Arachis
hypogaea) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 THR A  63
GLY A 335
ALA A 216
THR A 194
 None
 0.75A 3jusA-1z1eA:
undetectable		 3jusA-1z1eA:
22.06
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		4 LEU A 198
GLY A 216
ALA A 218
ILE A 251
 None
 0.76A 3jusA-1zmrA:
undetectable		 3jusA-1zmrA:
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 TYR A 308
LEU A 309
THR A 310
ILE A 282
 None
 0.78A 3jusA-2abjA:
undetectable		 3jusA-2abjA:
21.97
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		4 LEU A1089
THR A1088
GLY A1001
ILE A1005
 None
 0.81A 3jusA-2bruA:
undetectable		 3jusA-2bruA:
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		4 LEU A 153
GLY A 198
ALA A 202
ILE A 163
 None
 0.84A 3jusA-2btmA:
undetectable		 3jusA-2btmA:
19.40
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		4 THR A  96
GLY A  43
ALA A  46
ILE A  85
 None
ADN  A1301 (-3.3A)
None
None
 0.78A 3jusA-2c49A:
undetectable		 3jusA-2c49A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		4 THR A  49
GLY A  21
ALA A 165
ILE A 190
 ANP  A 700 (-4.9A)
None
None
None
 0.74A 3jusA-2chqA:
undetectable		 3jusA-2chqA:
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.
2d3r LECTIN ALPHA CHAIN

(Cratylia
argentea) 		PF00139
(Lectin_legB) 		4 LEU A 229
GLY A 144
ALA A 146
ILE A 106
 None
 0.81A 3jusA-2d3rA:
undetectable		 3jusA-2d3rA:
19.10
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 LEU A 318
THR A 317
TYR A 460
ALA A 388
 None
 0.81A 3jusA-2dkdA:
undetectable		 3jusA-2dkdA:
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.
2dvu THERMOPHILIC
REVERSIBLE
GAMMA-RESORCYLATE
DECARBOXYLASE

(Rhizobium sp.
MTP-10005) 		PF04909
(Amidohydro_2) 		4 LEU A 283
THR A 260
ALA A 296
ILE A  52
 None
 0.84A 3jusA-2dvuA:
undetectable		 3jusA-2dvuA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		4 LEU A 154
GLY A 537
THR A 453
ILE A 458
 None
 0.81A 3jusA-2et6A:
undetectable		 3jusA-2et6A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		4 LEU A 401
THR A 398
ALA A 388
THR A 331
 None
 0.80A 3jusA-2oceA:
undetectable		 3jusA-2oceA:
19.62
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.
2ow4 CANAVALIA MARITIMA
LECTIN

(Canavalia rosea) 		PF00139
(Lectin_legB) 		4 LEU A 230
GLY A 144
ALA A 146
ILE A 106
 None
 0.81A 3jusA-2ow4A:
undetectable		 3jusA-2ow4A:
20.63
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 LEU A  13
THR A  12
GLY A 450
ILE A  68
 None
 0.69A 3jusA-2pajA:
undetectable		 3jusA-2pajA:
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		4 LEU A  10
THR A   9
GLY A  34
ILE A 375
 None
 0.76A 3jusA-2qs8A:
undetectable		 3jusA-2qs8A:
23.12
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.
2uy7 PAP FIMBRIAL MAJOR
PILIN PROTEIN

(Escherichia
coli) 		PF00419
(Fimbrial) 		4 LEU B 124
THR B 123
GLY B 119
ILE B  24
 None
 0.81A 3jusA-2uy7B:
undetectable		 3jusA-2uy7B:
15.25
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 LEU A 128
GLY A  58
ALA A  62
THR A  66
 ACT  A1519 (-4.7A)
DDZ  A  57 ( 2.4A)
None
None
 0.63A 3jusA-2vqrA:
undetectable		 3jusA-2vqrA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yt7 AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY A MEMBER 3

(Homo sapiens) 		PF00595
(PDZ) 		4 LEU A  15
GLY A  67
ALA A  64
ILE A  95
 None
 0.83A 3jusA-2yt7A:
undetectable		 3jusA-2yt7A:
14.83
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.
2zbv UNCHARACTERIZED
CONSERVED PROTEIN

(Thermotoga
maritima) 		PF01887
(SAM_adeno_trans) 		4 LEU A   5
THR A   6
GLY A 128
ALA A 133
 None
 0.81A 3jusA-2zbvA:
undetectable		 3jusA-2zbvA:
19.52
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		4 TYR A 301
LEU A 304
GLY A 326
ALA A 322
 None
 0.82A 3jusA-3auoA:
undetectable		 3jusA-3auoA:
23.05
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.
3cbu PROBABLE GST-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 TYR A  97
LEU A 100
THR A 101
TYR A 130
 None
 0.67A 3jusA-3cbuA:
undetectable		 3jusA-3cbuA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		4 LEU A 125
GLY A 187
ALA A 156
ILE A 149
 None
None
ACT  A 361 ( 4.0A)
None
 0.80A 3jusA-3h4xA:
undetectable		 3jusA-3h4xA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 THR W 171
GLY W 119
ALA W 121
ILE W 133
 None
 0.83A 3jusA-3iylW:
undetectable		 3jusA-3iylW:
16.08
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.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 LEU A 185
THR A 186
ALA A 302
ILE A 174
 None
 0.72A 3jusA-3k0bA:
undetectable		 3jusA-3k0bA:
24.14
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.
3ky7 TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Staphylococcus
aureus) 		PF01746
(tRNA_m1G_MT) 		4 GLY A 139
ALA A 143
THR A 147
ILE A 106
 None
 0.80A 3jusA-3ky7A:
undetectable		 3jusA-3ky7A:
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.
3kyd SUMO-ACTIVATING
ENZYME SUBUNIT 1

(Homo sapiens) 		PF00899
(ThiF) 		4 LEU A 131
THR A 132
GLY A 307
ALA A 311
 None
 0.63A 3jusA-3kydA:
0.2		 3jusA-3kydA:
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.
3m5u PHOSPHOSERINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00266
(Aminotran_5) 		4 LEU A  69
GLY A 188
ALA A  75
ILE A  82
 None
None
MES  A 362 (-3.8A)
None
 0.73A 3jusA-3m5uA:
undetectable		 3jusA-3m5uA:
20.17
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 LEU A 512
THR A 511
GLY A 418
ILE A 537
 None
 0.81A 3jusA-3mosA:
undetectable		 3jusA-3mosA:
21.29
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		4 LEU A 292
THR A 293
GLY A 319
ALA A 322
 None
 0.80A 3jusA-3nixA:
undetectable		 3jusA-3nixA:
22.29
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 LEU A 497
THR A 496
GLY A  23
ALA A 464
 None
None
CO  A 553 ( 4.9A)
None
 0.84A 3jusA-3nvlA:
undetectable		 3jusA-3nvlA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnr FALCIPAIN 2

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		4 LEU A 143
GLY A  29
ALA A  56
ILE A 240
 None
 0.79A 3jusA-3pnrA:
undetectable		 3jusA-3pnrA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qm3 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Campylobacter
jejuni) 		PF01116
(F_bP_aldolase) 		4 LEU A 132
GLY A  10
ALA A  92
ILE A  42
 None
FMT  A 356 (-3.6A)
None
None
 0.83A 3jusA-3qm3A:
undetectable		 3jusA-3qm3A:
22.53
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.
3r44 FATTY ACYL COA
SYNTHETASE FADD13
(FATTY-ACYL-COA
SYNTHETASE)

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 THR A 329
GLY A 300
ALA A 325
ILE A 386
 None
 0.72A 3jusA-3r44A:
undetectable		 3jusA-3r44A:
21.07
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.
3s8m ENOYL-ACP REDUCTASE

(Xanthomonas
oryzae) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		4 LEU A 312
GLY A  64
ALA A  62
THR A  69
 None
 0.79A 3jusA-3s8mA:
undetectable		 3jusA-3s8mA:
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.
3t5b PROBABLE
CHAIN-FATTY-ACID-COA
LIGASE FADD13

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		4 THR A 329
GLY A 300
ALA A 325
ILE A 386
 None
 0.69A 3jusA-3t5bA:
undetectable		 3jusA-3t5bA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tch PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 TYR A 301
GLY A 342
ALA A 340
ILE A 328
 None
 0.82A 3jusA-3tchA:
undetectable		 3jusA-3tchA:
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.
3tk1 MEMBRANE
ATPASE/PROTEIN
KINASE

(Mycolicibacterium
thermoresistibile) 		PF03308
(ArgK) 		4 THR A  30
GLY A 128
ALA A 132
THR A 136
 None
 0.81A 3jusA-3tk1A:
undetectable		 3jusA-3tk1A:
21.66
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A  59
GLY A 335
ALA A 216
THR A 194
 LEU  A  59 (-0.5A)
GLY  A 335 ( 0.0A)
ALA  A 216 ( 0.0A)
THR  A 194 ( 0.8A)
 0.76A 3jusA-3wd7A:
undetectable		 3jusA-3wd7A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9

(Homo sapiens) 		PF11979
(DUF3480) 		4 THR A1050
GLY A 969
ALA A 972
ILE A1417
 None
 0.82A 3jusA-4bkwA:
undetectable		 3jusA-4bkwA:
20.10
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.
4f52 CULLIN-1

(Homo sapiens) 		PF00888
(Cullin) 		4 LEU A 668
THR A 667
THR A 629
ILE A 610
 None
 0.77A 3jusA-4f52A:
undetectable		 3jusA-4f52A:
21.96
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.
4g7x PUTATIVE
UNCHARACTERIZED
PROTEIN
TOLA PROTEIN

(Vibrio cholerae) 		PF06519
(TolA)
PF16710
(CTXphi_pIII-N1) 		4 LEU B 351
THR B 352
GLY B 315
THR A  10
 None
 0.69A 3jusA-4g7xB:
undetectable		 3jusA-4g7xB:
15.77
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.
4ggp TRANS-2-ENOYL-COA
REDUCTASE

(Treponema
denticola) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		4 LEU A 314
GLY A  69
ALA A  67
THR A  74
 None
 0.73A 3jusA-4ggpA:
undetectable		 3jusA-4ggpA:
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.
4kgb SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Drosophila
melanogaster) 		PF01144
(CoA_trans) 		4 LEU A 317
GLY A 420
ALA A 422
ILE A 435
 None
 0.76A 3jusA-4kgbA:
undetectable		 3jusA-4kgbA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 LEU A 143
GLY A 204
THR A 293
ILE A 296
 None
 0.63A 3jusA-4l39A:
undetectable		 3jusA-4l39A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l69 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Mycobacterium
tuberculosis) 		PF04452
(Methyltrans_RNA) 		4 LEU A 243
THR A 244
GLY A 192
ALA A 170
 None
 0.76A 3jusA-4l69A:
undetectable		 3jusA-4l69A:
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.
4mn8 BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1
LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 577
THR A 578
GLY B  76
ALA B  78
 None
SO4  A 911 (-3.6A)
SO4  B 302 (-3.2A)
None
 0.77A 3jusA-4mn8A:
undetectable		 3jusA-4mn8A:
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.
4n11 GLUTAREDOXIN

(Plasmodium
falciparum) 		PF00462
(Glutaredoxin) 		4 LEU A  69
THR A  70
GLY A  87
ILE A  53
 MPD  A 202 ( 4.2A)
None
MPO  A 201 (-3.5A)
None
 0.74A 3jusA-4n11A:
undetectable		 3jusA-4n11A:
14.71
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.
4p22 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1

(Homo sapiens) 		PF00899
(ThiF)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		4 LEU A 164
THR A 165
GLY A 402
ALA A 406
 None
 0.66A 3jusA-4p22A:
1.5		 3jusA-4p22A:
21.25
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B

(Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE) 		4 LEU B 104
THR B 105
GLY B  76
THR B 173
 None
 0.82A 3jusA-4p6vB:
undetectable		 3jusA-4p6vB:
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B

(Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE) 		4 THR B 162
GLY B 186
ALA B 207
ILE B 386
 None
 0.69A 3jusA-4p6vB:
undetectable		 3jusA-4p6vB:
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.
4qqs GLYCOSIDE HYDROLASE
FAMILY 43

(Halothermothrix
orenii) 		PF04616
(Glyco_hydro_43) 		4 TYR A   5
LEU A  47
GLY A  11
THR A 274
 None
 0.81A 3jusA-4qqsA:
undetectable		 3jusA-4qqsA:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 TYR A 131
LEU A 134
THR A 135
TYR A 145
GLY A 307
 VFV  A 580 (-4.1A)
VFV  A 580 (-4.4A)
VFV  A 580 (-4.7A)
HEM  A 540 (-4.5A)
VFV  A 580 (-2.9A)
 0.63A 3jusA-4uhiA:
61.6		 3jusA-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		7 TYR A 131
THR A 135
TYR A 145
GLY A 307
ALA A 311
THR A 315
ILE A 377
 VFV  A 580 (-4.1A)
VFV  A 580 (-4.7A)
HEM  A 540 (-4.5A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 ( 3.9A)
 0.49A 3jusA-4uhiA:
61.6		 3jusA-4uhiA:
99.77
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 LEU A 660
THR A 661
GLY A 227
ALA A 224
 None
 0.77A 3jusA-4umvA:
undetectable		 3jusA-4umvA:
19.87
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		4 LEU A 883
THR A 882
THR A 892
ILE A 818
 None
 0.79A 3jusA-4uvkA:
undetectable		 3jusA-4uvkA:
18.39
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) 		4 TYR A 122
LEU A 125
TYR A 136
ILE A 373
 VOR  A 590 (-3.8A)
None
HEM  A 580 (-4.6A)
HEM  A 580 (-4.1A)
 0.72A 3jusA-4uymA:
48.0		 3jusA-4uymA:
39.63
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) 		5 TYR A 122
THR A 126
TYR A 136
ALA A 307
ILE A 373
 VOR  A 590 (-3.8A)
None
HEM  A 580 (-4.6A)
VOR  A 590 ( 4.0A)
HEM  A 580 (-4.1A)
 0.77A 3jusA-4uymA:
48.0		 3jusA-4uymA:
39.63
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.
4wuv 2-HYDROXYCYCLOHEXANE
CARBOXYL-COA
DEHYDROGENASE

(Haemophilus
influenzae) 		PF00106
(adh_short) 		4 LEU A  13
GLY A  64
ALA A  66
ILE A  20
 None
 0.75A 3jusA-4wuvA:
undetectable		 3jusA-4wuvA:
21.20
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.
4xk1 PHOSPHOSERINE
AMINOTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		4 LEU A  71
GLY A 194
ALA A  77
ILE A  84
 None
LLP  A 197 ( 4.5A)
LLP  A 197 ( 3.5A)
None
 0.81A 3jusA-4xk1A:
undetectable		 3jusA-4xk1A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y8f TRIOSEPHOSPHATE
ISOMERASE

(Clostridium
perfringens) 		PF00121
(TIM) 		4 LEU A 156
GLY A 201
ALA A 205
ILE A 166
 None
 0.81A 3jusA-4y8fA:
undetectable		 3jusA-4y8fA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y96 TRIOSEPHOSPHATE
ISOMERASE

(Gemmata
obscuriglobus) 		PF00121
(TIM) 		4 LEU A 158
GLY A 203
ALA A 207
ILE A 168
 None
CA  A 304 ( 4.2A)
None
None
 0.74A 3jusA-4y96A:
undetectable		 3jusA-4y96A:
21.01
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.
4zve DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF00990
(GGDEF) 		4 GLY A 411
ALA A 408
THR A 348
ILE A 340
 None
 0.84A 3jusA-4zveA:
undetectable		 3jusA-4zveA:
18.66
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.
5a2g CARBOXYLIC ESTER
HYDROLASE

(Hungatella
hathewayi) 		PF00135
(COesterase) 		4 THR A 377
TYR A 498
GLY A 322
ALA A 325
 None
 0.67A 3jusA-5a2gA:
undetectable		 3jusA-5a2gA:
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.
5ap9 LIPASE

(Thermomyces
lanuginosus) 		PF01764
(Lipase_3)
PF03893
(Lipase3_N) 		4 LEU A 147
GLY A  65
ALA A  20
ILE A 265
 None
 0.82A 3jusA-5ap9A:
undetectable		 3jusA-5ap9A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 LEU A 337
THR A 336
GLY A 398
ILE A 498
 None
 0.69A 3jusA-5bwdA:
undetectable		 3jusA-5bwdA:
21.85
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 TYR A 118
THR A 122
TYR A 132
GLY A 303
 X2N  A 590 ( 4.0A)
None
HEM  A 580 (-4.1A)
X2N  A 590 ( 4.8A)
 0.59A 3jusA-5fsaA:
46.1		 3jusA-5fsaA:
39.88
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 TYR A 118
TYR A 132
GLY A 303
THR A 311
 X2N  A 590 ( 4.0A)
HEM  A 580 (-4.1A)
X2N  A 590 ( 4.8A)
HEM  A 580 (-3.6A)
 0.55A 3jusA-5fsaA:
46.1		 3jusA-5fsaA:
39.88
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 LEU Y 215
THR Y 216
GLY Y 439
ALA Y 437
 None
 0.84A 3jusA-5gaiY:
undetectable		 3jusA-5gaiY:
20.41
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.
5ghe PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 4 TYR A  50
THR A  53
GLY A 257
ILE A 240
 None
 0.75A 3jusA-5gheA:
1.5		 3jusA-5gheA:
23.67
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
THR A 130
TYR A 140
GLY A 310
THR A 318
 VOR  A 602 ( 3.8A)
None
HEM  A 601 (-4.3A)
VOR  A 602 (-4.3A)
HEM  A 601 (-3.4A)
 0.59A 3jusA-5hs1A:
45.4		 3jusA-5hs1A:
35.73
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) 		5 TYR A 127
THR A 131
TYR A 141
GLY A 311
THR A 319
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.9A)
HEM  A 601 (-4.2A)
1YN  A 602 (-3.9A)
HEM  A 601 ( 3.5A)
 0.69A 3jusA-5jlcA:
44.6		 3jusA-5jlcA:
35.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jrl DIPEPTIDYL
AMINOPEPTIDASES/ACYL
AMINOACYL-PEPTIDASES
-LIKE PROTEIN

(Sphingopyxis
alaskensis) 		PF00326
(Peptidase_S9) 		4 THR A 670
TYR A 674
GLY A 140
ALA A 142
 None
 0.50A 3jusA-5jrlA:
undetectable		 3jusA-5jrlA:
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.
5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		4 LEU A 306
GLY A 352
ALA A 356
ILE A 243
 None
 0.70A 3jusA-5k94A:
undetectable		 3jusA-5k94A:
21.85
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		4 LEU A 306
GLY A 352
ALA A 356
ILE A 243
 None
 0.77A 3jusA-5k9tA:
undetectable		 3jusA-5k9tA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN

(Azotobacter
vinelandii) 		no annotation 4 GLY E 259
ALA E 255
THR E 279
ILE E 442
 None
 0.70A 3jusA-5n6yE:
undetectable		 3jusA-5n6yE:
22.29
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.
5t79 ALDO-KETO REDUCTASE,
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00248
(Aldo_ket_red) 		4 THR A  40
GLY A  67
ALA A  73
ILE A  80
 None
 0.81A 3jusA-5t79A:
undetectable		 3jusA-5t79A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr3 DIHYDROLIPOYL
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 213
GLY A 193
ALA A 276
ILE A 158
 None
 0.81A 3jusA-5tr3A:
undetectable		 3jusA-5tr3A:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 4 LEU A  45
ALA A  11
THR A 369
ILE A 371
 None
 0.76A 3jusA-5x7uA:
undetectable		 3jusA-5x7uA:
13.04
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
GLY A 290
ALA A 293
THR A 297
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.89A 3jusA-6ay4A:
36.5		 3jusA-6ay4A:
40.88
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 4 LEU H 112
GLY E  85
ALA H 151
ILE H 246
 None
 0.84A 3jusA-6cfwH:
undetectable		 3jusA-6cfwH:
11.23
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.
6fdf TRNA
(CYTOSINE(38)-C(5))-
METHYLTRANSFERASE

(Schizosaccharomyces
pombe) 		no annotation 4 TYR A 319
LEU A 320
GLY A  18
ILE A 158
 None
None
SAH  A 401 (-3.6A)
None
 0.79A 3jusA-6fdfA:
undetectable		 3jusA-6fdfA:
12.20
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 4 LEU M 360
THR M 357
ALA M 438
ILE M 445
 None
CDL  L 702 (-4.1A)
None
3PE  M 503 (-4.2A)
 0.77A 3jusA-6g2jM:
undetectable		 3jusA-6g2jM:
13.20