SIMILAR PATTERNS OF AMINO ACIDS FOR 3UR0_B_SVRB516

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.
1dm1 MYOGLOBIN

(Aplysia
limacina) 		PF00042
(Globin) 		5 PRO A 123
GLY A 125
ALA A 126
ALA A   5
ASP A   8
 None
 1.13A 3ur0B-1dm1A:
undetectable		 3ur0B-1dm1A:
15.45
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.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		5 PRO A 333
GLY A 330
ALA A 326
ALA A 343
ASP A 341
 None
None
None
CL  A 413 (-3.0A)
None
 1.41A 3ur0B-1eu8A:
0.0		 3ur0B-1eu8A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hux ACTIVATOR OF
(R)-2-HYDROXYGLUTARY
L-COA DEHYDRATASE

(Acidaminococcus
fermentans) 		PF01869
(BcrAD_BadFG) 		4 GLY A 226
ALA A 227
ALA A 189
ARG A 193
 None
 0.77A 3ur0B-1huxA:
0.0		 3ur0B-1huxA:
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.
1iuh 2'-5' RNA LIGASE

(Thermus
thermophilus) 		PF02834
(LigT_PEase) 		4 GLY A 108
ALA A 107
ALA A 102
ARG A 106
 None
 0.88A 3ur0B-1iuhA:
undetectable		 3ur0B-1iuhA:
17.25
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.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		4 PRO A 251
GLY A 253
ALA A 254
ARG A 255
 None
None
NDP  A1400 (-3.6A)
NDP  A1400 (-3.0A)
 0.70A 3ur0B-1lqaA:
0.0		 3ur0B-1lqaA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lqy PEPTIDE DEFORMYLASE
2

(Geobacillus
stearothermophilus) 		PF01327
(Pep_deformylase) 		4 PRO A 176
GLY A 178
ALA A 179
ALA A 125
 None
 0.83A 3ur0B-1lqyA:
0.0		 3ur0B-1lqyA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m0u GST2 GENE PRODUCT

(Drosophila
melanogaster) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 GLY A 125
TRP A 197
ALA A 198
ASP A 199
 None
 0.83A 3ur0B-1m0uA:
0.0		 3ur0B-1m0uA:
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.
1m6s L-ALLO-THREONINE
ALDOLASE

(Thermotoga
maritima) 		PF01212
(Beta_elim_lyase) 		4 PRO A 204
GLY A 240
ALA A 239
ALA A  23
 None
 0.83A 3ur0B-1m6sA:
1.1		 3ur0B-1m6sA:
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.
1mi1 NEUROBEACHIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		4 PRO A2336
GLY A2338
ALA A2339
ALA A2349
 None
 0.85A 3ur0B-1mi1A:
0.0		 3ur0B-1mi1A:
22.20
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PRO A 427
GLY A  62
ALA A  65
ALA A  97
ASP A  96
 None
 1.47A 3ur0B-1poxA:
0.0		 3ur0B-1poxA:
22.03
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.
1qez PROTEIN (INORGANIC
PYROPHOSPHATASE)

(Sulfolobus
acidocaldarius) 		PF00719
(Pyrophosphatase) 		5 PRO A1086
GLY A1088
ALA A1158
ALA A1100
ARG A1161
 None
 1.45A 3ur0B-1qezA:
undetectable		 3ur0B-1qezA:
16.70
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.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		4 PRO A2272
GLY A2274
ALA A2275
ALA A2285
 None
 0.88A 3ur0B-1t77A:
undetectable		 3ur0B-1t77A:
21.98
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 PRO A1249
GLY A1350
ALA A1356
ASP A1357
 NAP  A1453 (-4.2A)
None
None
NAP  A1453 ( 4.7A)
 0.81A 3ur0B-1tllA:
undetectable		 3ur0B-1tllA:
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.
1w07 ACYL-COA OXIDASE

(Arabidopsis
thaliana) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 GLY A  27
ALA A  26
TRP A  25
ALA A 606
 None
 0.79A 3ur0B-1w07A:
undetectable		 3ur0B-1w07A:
21.12
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		4 PRO A 267
GLY A 265
ALA A  64
ASP B  92
 None
 0.88A 3ur0B-1wytA:
undetectable		 3ur0B-1wytA:
22.55
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.
2aan AURACYANIN A

(Chloroflexus
aurantiacus) 		PF00127
(Copper-bind) 		4 PRO A  88
GLY A  77
ALA A  76
ALA A  71
 None
 0.77A 3ur0B-2aanA:
undetectable		 3ur0B-2aanA:
14.09
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 PRO A 203
GLY A 232
ALA A 231
ALA A 194
 None
 0.73A 3ur0B-2aeyA:
undetectable		 3ur0B-2aeyA:
21.52
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.
2bpq ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 GLY A 322
ALA A 321
ALA A 129
ARG A 346
 None
 0.84A 3ur0B-2bpqA:
undetectable		 3ur0B-2bpqA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Homo sapiens) 		PF00698
(Acyl_transf_1) 		4 PRO A 257
GLY A 128
ALA A 127
ALA A 122
 None
 0.85A 3ur0B-2c2nA:
0.9		 3ur0B-2c2nA:
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.
2d1p HYPOTHETICAL UPF0116
PROTEIN YHEM

(Escherichia
coli) 		PF02635
(DrsE) 		4 PRO B  12
GLY B  18
ASP B  60
ARG B  59
 None
 0.82A 3ur0B-2d1pB:
undetectable		 3ur0B-2d1pB:
13.55
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.
2fem CYTIDYLATE KINASE

(Escherichia
coli) 		PF02224
(Cytidylate_kin) 		4 PRO A  13
GLY A  15
ALA A  16
ASP A 203
 None
 0.66A 3ur0B-2femA:
undetectable		 3ur0B-2femA:
18.25
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.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 GLY A  27
ALA A  26
TRP A  25
ALA A 606
 None
 0.80A 3ur0B-2fonA:
undetectable		 3ur0B-2fonA:
21.23
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.
2h28 HYPOTHETICAL PROTEIN
YEEU

(Escherichia
coli) 		PF06154
(CbeA_antitoxin) 		4 GLY A  49
ALA A  48
TRP A  20
ARG A  47
 None
 0.70A 3ur0B-2h28A:
undetectable		 3ur0B-2h28A:
14.76
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.
2hzg MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME/ENOLASE
SUPERFAMILY

(Rhodobacter
sphaeroides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PRO A 318
GLY A 285
ALA A 287
ASP A 277
 None
 0.86A 3ur0B-2hzgA:
undetectable		 3ur0B-2hzgA:
24.44
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.
2kxs TIGHT JUNCTION
PROTEIN ZO-1,
LINKER, PEPTIDE OF
MYOCARDIUM-ENRICHED
ZO-ASSOCIATED
PROTEIN

(Homo sapiens;
synthetic
construct) 		PF00791
(ZU5) 		4 PRO A  43
GLY A  45
ALA A  46
ASP A 130
 None
 0.75A 3ur0B-2kxsA:
undetectable		 3ur0B-2kxsA:
14.63
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.
2n5b THIOREDOXIN-1

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin) 		4 PRO A  73
GLY A  89
ALA A  90
ALA A  93
 None
 0.84A 3ur0B-2n5bA:
undetectable		 3ur0B-2n5bA:
11.88
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 141
ALA A 166
ALA A 187
ARG A 162
 None
 0.82A 3ur0B-2obyA:
undetectable		 3ur0B-2obyA:
22.27
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 PRO A 174
GLY A 176
ALA A 177
ALA A 344
 None
 0.56A 3ur0B-2p4qA:
undetectable		 3ur0B-2p4qA:
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.
2pbp ENOYL-COA HYDRATASE
SUBUNIT I

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		4 GLY A 140
ALA A 141
ALA A  86
ASP A  87
 None
 0.87A 3ur0B-2pbpA:
undetectable		 3ur0B-2pbpA:
19.11
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.
2pim PHENYLACETIC ACID
DEGRADATION-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF13622
(4HBT_3) 		4 PRO A  18
ALA A  21
ALA A  62
ASP A  65
 None
 0.85A 3ur0B-2pimA:
undetectable		 3ur0B-2pimA:
15.52
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.
2pim PHENYLACETIC ACID
DEGRADATION-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF13622
(4HBT_3) 		4 PRO A  18
GLY A  22
ALA A  21
ALA A  62
 None
 0.83A 3ur0B-2pimA:
undetectable		 3ur0B-2pimA:
15.52
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.
2pvz PRPF METHYLACONITATE
ISOMERASE

(Shewanella
oneidensis) 		PF04303
(PrpF) 		4 PRO A 184
GLY A 221
ALA A 220
ALA A 331
 None
EDO  A1010 (-3.6A)
None
None
 0.80A 3ur0B-2pvzA:
undetectable		 3ur0B-2pvzA:
23.54
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.
2vbk TAILSPIKE-PROTEIN

(Shigella virus
Sf6) 		PF12708
(Pectate_lyase_3) 		4 GLY A 486
ALA A 490
TRP A 489
ALA A 469
 None
 0.80A 3ur0B-2vbkA:
undetectable		 3ur0B-2vbkA:
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.
2w8z 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Geobacillus
stearothermophilus) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 PRO A 174
GLY A 176
ALA A 177
ALA A 344
 None
 0.64A 3ur0B-2w8zA:
0.9		 3ur0B-2w8zA:
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.
2www METHYLMALONIC
ACIDURIA TYPE A
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF03308
(ArgK) 		4 PRO A 151
GLY A 153
ALA A 154
ALA A 267
 None
GDP  A 600 (-3.5A)
GDP  A 600 (-4.2A)
None
 0.77A 3ur0B-2wwwA:
undetectable		 3ur0B-2wwwA:
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.
2xj6 ASCORBATE PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		4 PRO A 127
GLY A 129
ALA A 148
ASP A  48
 SO4  A1002 (-4.1A)
None
None
None
 0.76A 3ur0B-2xj6A:
undetectable		 3ur0B-2xj6A:
19.38
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.
2y0e UDP-GLUCOSE
DEHYDROGENASE

(Burkholderia
cepacia) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 GLY A 125
ALA A 127
ALA A 132
ARG A 131
 GOL  A1465 ( 4.3A)
None
None
None
 0.85A 3ur0B-2y0eA:
undetectable		 3ur0B-2y0eA:
24.29
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		4 GLY A 359
ALA A 358
ALA A 404
ARG A 401
 None
 0.86A 3ur0B-2ze4A:
undetectable		 3ur0B-2ze4A:
23.67
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.
3bkn BACTERIOFERRITIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 PRO A  69
GLY A  67
ASP A  60
ARG A  61
 None
 0.76A 3ur0B-3bknA:
undetectable		 3ur0B-3bknA:
16.00
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.
3byw PUTATIVE
ARABINOFURANOSYLTRAN
SFERASE

(Corynebacterium
diphtheriae) 		PF04602
(Arabinose_trans) 		5 PRO A  70
GLY A 185
ALA A 184
ALA A 179
ASP A 180
 None
 1.43A 3ur0B-3bywA:
undetectable		 3ur0B-3bywA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ccq 50S RIBOSOMAL
PROTEIN L4P

(Haloarcula
marismortui) 		PF00573
(Ribosomal_L4) 		4 GLY C 227
ALA C 224
ASP C 222
ARG C 231
 None
None
G  0 672 ( 2.9A)
None
 0.81A 3ur0B-3ccqC:
undetectable		 3ur0B-3ccqC:
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.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PRO A 233
ALA A 215
ALA A 249
ARG A 216
 None
 0.80A 3ur0B-3ddmA:
undetectable		 3ur0B-3ddmA:
23.19
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.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 GLY A 649
ALA A 650
ALA A 487
ARG A 636
 None
 0.80A 3ur0B-3dlaA:
undetectable		 3ur0B-3dlaA:
22.30
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.
3eli AHA1 DOMAIN PROTEIN

(Ruegeria
pomeroyi) 		PF08327
(AHSA1) 		4 PRO A  14
GLY A 109
ALA A 110
ARG A 111
 None
 0.78A 3ur0B-3eliA:
undetectable		 3ur0B-3eliA:
17.41
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.
3fmf DETHIOBIOTIN
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF13500
(AAA_26) 		4 PRO A 197
GLY A 199
ALA A 200
ASP A 207
 None
 0.81A 3ur0B-3fmfA:
undetectable		 3ur0B-3fmfA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fvb BACTERIOFERRITIN

(Brucella
abortus) 		PF00210
(Ferritin) 		4 PRO A  69
GLY A  67
ASP A  60
ARG A  61
 None
 0.82A 3ur0B-3fvbA:
undetectable		 3ur0B-3fvbA:
17.68
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.
3hur ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 GLY A 172
ALA A 171
ALA A 168
ASP A 169
 None
 0.86A 3ur0B-3hurA:
undetectable		 3ur0B-3hurA:
23.03
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.
3itd 17BETA-HYDROXYSTEROI
D DEHYDROGENASE

(Curvularia
lunata) 		PF13561
(adh_short_C2) 		4 GLY A  31
ALA A  32
ALA A  56
ASP A  55
 None
 0.89A 3ur0B-3itdA:
undetectable		 3ur0B-3itdA:
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PRO A 285
GLY A 287
ALA A 288
ALA A 242
 None
 0.84A 3ur0B-3jv7A:
undetectable		 3ur0B-3jv7A:
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.
3kd9 COENZYME A DISULFIDE
REDUCTASE

(Pyrococcus
horikoshii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 260
ALA A 261
ALA A 112
ASP A 280
 None
 0.76A 3ur0B-3kd9A:
undetectable		 3ur0B-3kd9A:
22.57
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 PRO A 369
GLY A 367
ALA A 498
ASP A 501
 LYS  A 604 ( 4.7A)
LYS  A 604 ( 4.5A)
None
None
 0.87A 3ur0B-3l76A:
2.1		 3ur0B-3l76A:
22.08
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ALA B 321
ALA B 401
ASP B 400
ARG B 322
 None
 0.61A 3ur0B-3m2rB:
1.5		 3ur0B-3m2rB:
22.95
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.
3m4u TYROSINE SPECIFIC
PROTEIN PHOSPHATASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00102
(Y_phosphatase) 		4 GLY A 232
ALA A 231
ALA A 132
ARG A  50
 PO4  A 307 (-3.2A)
PO4  A 307 (-3.5A)
None
None
 0.86A 3ur0B-3m4uA:
undetectable		 3ur0B-3m4uA:
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.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 GLY A  99
ALA A 100
TRP A  64
ALA A 154
 None
 0.59A 3ur0B-3n0tA:
undetectable		 3ur0B-3n0tA:
21.18
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.
3n90 THYLAKOID LUMENAL 15
KDA PROTEIN 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00805
(Pentapeptide) 		4 ALA A 216
ALA A 206
ASP A 207
ARG A 218
 None
 0.84A 3ur0B-3n90A:
undetectable		 3ur0B-3n90A:
17.37
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.
3ois CYSTEINE PROTEASE

(Xylella
fastidiosa) 		PF00112
(Peptidase_C1) 		4 PRO A 159
GLY A 161
ALA A 162
ASP A 148
 None
 0.67A 3ur0B-3oisA:
undetectable		 3ur0B-3oisA:
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		4 GLY A 149
ALA A 151
ALA A 156
ARG A 155
 None
 0.83A 3ur0B-3p7nA:
undetectable		 3ur0B-3p7nA:
19.03
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.
3qqv GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		4 GLY A 307
ALA A 306
ALA A 301
ARG A 305
 None
 0.89A 3ur0B-3qqvA:
undetectable		 3ur0B-3qqvA:
23.32
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		4 GLY A  81
ALA A  83
ALA A 107
ARG A  86
 SAM  A 302 (-3.4A)
None
None
None
 0.87A 3ur0B-3r24A:
undetectable		 3ur0B-3r24A:
22.16
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.
3tqe MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Coxiella
burnetii) 		PF00698
(Acyl_transf_1) 		4 PRO A 225
GLY A 104
ALA A 103
ALA A  98
 None
 0.85A 3ur0B-3tqeA:
1.1		 3ur0B-3tqeA:
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.
3u0h XYLOSE ISOMERASE
DOMAIN PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01261
(AP_endonuc_2) 		4 GLY A 184
ALA A 183
ALA A 157
ASP A 158
 None
 0.87A 3ur0B-3u0hA:
undetectable		 3ur0B-3u0hA:
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.
3uof BACTERIOFERRITIN

(Mycobacterium
tuberculosis) 		PF00210
(Ferritin) 		4 PRO A  69
GLY A  67
ASP A  60
ARG A  61
 None
 0.77A 3ur0B-3uofA:
undetectable		 3ur0B-3uofA:
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.
3v75 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Streptomyces
avermitilis) 		PF00215
(OMPdecase) 		4 PRO A 192
GLY A   7
ALA A   8
ALA A  13
 None
 0.80A 3ur0B-3v75A:
undetectable		 3ur0B-3v75A:
23.78
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.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 PRO A 497
GLY A 508
ALA A 510
ALA A 515
 None
 0.85A 3ur0B-3vmnA:
undetectable		 3ur0B-3vmnA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 PRO A 201
GLY A 221
ALA A 219
ALA A 405
 None
 0.88A 3ur0B-3w3aA:
undetectable		 3ur0B-3w3aA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjp HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE

(Thermococcus
kodakarensis) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 GLY A 312
ALA A 235
ALA A 159
ASP A 158
 None
 0.84A 3ur0B-3wjpA:
1.2		 3ur0B-3wjpA:
21.53
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 PRO A 100
GLY A  97
ALA A  96
ARG A  95
 PEG  A1669 (-4.6A)
None
PEG  A1669 ( 4.0A)
None
 0.88A 3ur0B-3zukA:
0.6		 3ur0B-3zukA:
23.50
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.
3zyi LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF07679
(I-set)
PF13855
(LRR_8) 		4 PRO A 139
GLY A 141
ALA A 142
ALA A  92
 None
 0.77A 3ur0B-3zyiA:
undetectable		 3ur0B-3zyiA:
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.
4amm DYNE8

(Micromonospora
chersina) 		PF00698
(Acyl_transf_1) 		4 PRO A 776
GLY A 662
ALA A 661
ALA A 656
 None
 0.86A 3ur0B-4ammA:
undetectable		 3ur0B-4ammA:
25.14
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.
4beg PHOSPHATIDYLETHANOLA
MINE BINDING PROTEIN

(Mycobacterium
tuberculosis) 		PF01161
(PBP) 		4 PRO A 103
GLY A 105
ALA A 106
ALA A  63
 None
 0.88A 3ur0B-4begA:
undetectable		 3ur0B-4begA:
17.17
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.
4dia 2-PYRONE-4,6-DICARBA
XYLATE HYDROLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		4 PRO A  23
ALA A  27
ALA A  30
ASP A  29
 None
 0.81A 3ur0B-4diaA:
undetectable		 3ur0B-4diaA:
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.
4e22 CYTIDYLATE KINASE

(Yersinia
pseudotuberculosis) 		PF02224
(Cytidylate_kin) 		4 PRO A  13
GLY A  15
ALA A  16
ASP A 203
 None
SO4  A 301 (-3.2A)
SO4  A 301 (-4.9A)
None
 0.63A 3ur0B-4e22A:
undetectable		 3ur0B-4e22A:
19.21
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.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 GLY A 228
ALA A 227
ALA A 220
ASP A 223
 None
 0.88A 3ur0B-4efiA:
undetectable		 3ur0B-4efiA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 PRO A 235
GLY A 237
ALA A 238
TRP A 254
 None
 0.70A 3ur0B-4hjlA:
undetectable		 3ur0B-4hjlA:
23.06
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.
4ibo GLUCONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		4 GLY A  35
ALA A  36
ALA A 235
ARG A  12
 None
 0.86A 3ur0B-4iboA:
undetectable		 3ur0B-4iboA:
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 483
ALA A 482
ALA A 513
ASP A 512
 None
 0.86A 3ur0B-4j57A:
undetectable		 3ur0B-4j57A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jxn OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		4 ALA A 262
ALA A 256
ASP A 257
ARG A 261
 None
 0.72A 3ur0B-4jxnA:
undetectable		 3ur0B-4jxnA:
23.23
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.
4ljp E3 UBIQUITIN-PROTEIN
LIGASE RNF31

(Homo sapiens) 		no annotation 4 PRO A 958
GLY A 960
ALA A 961
ARG A 962
 None
 0.65A 3ur0B-4ljpA:
undetectable		 3ur0B-4ljpA:
17.94
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.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		4 GLY A  53
ALA A  54
ALA A 253
ARG A  30
 None
 0.78A 3ur0B-4lvuA:
undetectable		 3ur0B-4lvuA:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nru RNA DEPENDENT RNA
POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		7 PRO A  38
GLY A  40
ALA A  41
TRP A  42
ALA A 409
ASP A 412
ARG A 413
 None
 0.65A 3ur0B-4nruA:
56.4		 3ur0B-4nruA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ol9 PUTATIVE
2-DEHYDROPANTOATE
2-REDUCTASE

(Mycobacterium
tuberculosis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 PRO A 145
GLY A 147
ALA A 150
ALA A 116
 None
 0.79A 3ur0B-4ol9A:
undetectable		 3ur0B-4ol9A:
21.00
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.
4ovm UNCHARACTERIZED
PROTEIN SGCJ

(Streptomyces
carzinostaticus) 		PF14534
(DUF4440) 		5 GLY A 129
ALA A 130
TRP A 131
ALA A  20
ASP A  23
 None
 1.15A 3ur0B-4ovmA:
undetectable		 3ur0B-4ovmA:
13.75
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		4 GLY A 116
ALA A 115
ALA A 200
ASP A 203
 None
 0.82A 3ur0B-4pr3A:
undetectable		 3ur0B-4pr3A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C

(Zea mays) 		PF00171
(Aldedh) 		5 PRO A 194
ALA A 195
TRP A 169
ALA A 111
ASP A 110
 None
NAD  A 601 (-3.9A)
NAD  A 601 (-3.8A)
None
NA  A 609 (-3.6A)
 1.28A 3ur0B-4pxlA:
undetectable		 3ur0B-4pxlA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s12 N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Yersinia
enterocolitica) 		PF01380
(SIS) 		4 GLY A 158
ALA A 131
ALA A  58
ASP A  61
 None
 0.88A 3ur0B-4s12A:
undetectable		 3ur0B-4s12A:
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.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		4 GLY A 385
ALA A 384
ALA A 263
ARG A 382
 None
 0.88A 3ur0B-4tpnA:
undetectable		 3ur0B-4tpnA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u8h CRYPTOCHROME-2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 GLY A 413
ALA A 412
TRP A 415
ASP A 400
 None
 0.67A 3ur0B-4u8hA:
undetectable		 3ur0B-4u8hA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whm UDP-GLUCOSE:ANTHOCYA
NIDIN
3-O-GLUCOSYLTRANSFER
ASE

(Clitoria
ternatea) 		PF00201
(UDPGT) 		4 PRO A 358
GLY A 356
ALA A 415
ASP A 413
 None
 0.83A 3ur0B-4whmA:
undetectable		 3ur0B-4whmA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wop ATP-DEPENDENT
DETHIOBIOTIN
SYNTHETASE BIOD

(Mycobacterium
tuberculosis) 		PF13500
(AAA_26) 		4 PRO A 197
GLY A 199
ALA A 200
ASP A 207
 None
CTP  A 301 (-3.0A)
CTP  A 301 (-3.6A)
None
 0.72A 3ur0B-4wopA:
undetectable		 3ur0B-4wopA:
19.72
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.
4xcg THERMOSOME SUBUNIT
BETA

(Sulfolobus
solfataricus) 		PF00118
(Cpn60_TCP1) 		4 GLY B 178
ALA B 179
ALA B 184
ASP B 185
 None
 0.87A 3ur0B-4xcgB:
undetectable		 3ur0B-4xcgB:
22.68
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ALA B 321
ALA B 401
ASP B 400
ARG B 322
 None
 0.77A 3ur0B-5a8rB:
undetectable		 3ur0B-5a8rB:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnb UBIQUITIN-CONJUGATIN
G ENZYME E2 S

(Homo sapiens) 		PF00179
(UQ_con) 		4 PRO A  50
GLY A  52
ALA A 145
ARG A 149
 None
 0.88A 3ur0B-5bnbA:
undetectable		 3ur0B-5bnbA:
15.53
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.
5ck3 PUTATIVE SIGNAL
RECOGNITION PARTICLE
PROTEIN

(Chaetomium
thermophilum) 		PF09439
(SRPRB) 		4 PRO B  58
GLY B  60
ALA B  61
ALA B 202
 None
GTP  B 402 (-3.9A)
GTP  B 402 (-4.1A)
None
 0.85A 3ur0B-5ck3B:
undetectable		 3ur0B-5ck3B:
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.
5ck3 PUTATIVE SIGNAL
RECOGNITION PARTICLE
PROTEIN

(Chaetomium
thermophilum) 		PF09439
(SRPRB) 		4 PRO B  58
GLY B  60
ALA B  61
ALA B 203
 None
GTP  B 402 (-3.9A)
GTP  B 402 (-4.1A)
None
 0.57A 3ur0B-5ck3B:
undetectable		 3ur0B-5ck3B:
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.
5d0n PYRUVATE, PHOSPHATE
DIKINASE REGULATORY
PROTEIN,
CHLOROPLASTIC

(Zea mays) 		PF03618
(Kinase-PPPase) 		4 PRO A 248
GLY A 246
ALA A 206
ALA A 211
 AMP  A 501 (-4.3A)
None
AMP  A 501 ( 4.5A)
None
 0.76A 3ur0B-5d0nA:
undetectable		 3ur0B-5d0nA:
21.98
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.
5di0 NATTERIN-LIKE
PROTEIN

(Danio rerio) 		PF03318
(ETX_MTX2) 		4 PRO A  59
GLY A  57
ALA A  43
ALA A  46
 None
PEG  A 406 (-4.2A)
None
None
 0.80A 3ur0B-5di0A:
undetectable		 3ur0B-5di0A:
20.31
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF03170
(BcsB) 		4 PRO B 369
GLY B 371
ALA B 372
ALA B 165
 None
BGC  A 904 ( 4.1A)
None
None
 0.84A 3ur0B-5ej1B:
undetectable		 3ur0B-5ej1B:
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.
5fx8 LINOLEATE
11-LIPOXYGENASE
ZONADHESIN

(Gaeumannomyces
avenae;
Komagataella
phaffii) 		PF00305
(Lipoxygenase)
no annotation 		4 GLY A 406
ALA A 407
ALA U 275
ARG A 574
 None
 0.85A 3ur0B-5fx8A:
undetectable		 3ur0B-5fx8A:
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.
5g3y ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 PRO A   8
GLY A  10
ALA A  11
ASP A 198
 None
ADP  A1215 (-3.6A)
ADP  A1215 (-4.0A)
None
 0.84A 3ur0B-5g3yA:
undetectable		 3ur0B-5g3yA:
18.29
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.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		4 GLY A 464
ALA A 463
ASP A 495
ARG A 496
 None
 0.85A 3ur0B-5gwjA:
undetectable		 3ur0B-5gwjA:
21.08