SIMILAR PATTERNS OF AMINO ACIDS FOR 1BDW_A_DVAA6_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bud PROTEIN (ACUTOLYSIN
A)

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		3 ALA A  31
VAL A  33
TRP A  32
 None
 0.83A 1bdwA-1budA:
undetectable
1bdwB-1budA:
undetectable		 1bdwA-1budA:
6.43
1bdwB-1budA:
6.43
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		3 ALA A 302
VAL A 366
TRP A 269
 None
 0.91A 1bdwA-1dqsA:
undetectable
1bdwB-1dqsA:
undetectable		 1bdwA-1dqsA:
3.51
1bdwB-1dqsA:
3.51
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.
1ed7 CHITINASE A1

(Bacillus
circulans) 		no annotation 3 ALA A 655
VAL A 668
TRP A 656
 None
 0.84A 1bdwA-1ed7A:
undetectable
1bdwB-1ed7A:
undetectable		 1bdwA-1ed7A:
17.50
1bdwB-1ed7A:
17.50
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.
1fon PROCARBOXYPEPTIDASE
A-S6

(Bos taurus) 		PF00089
(Trypsin) 		3 ALA A  41
VAL A  79
TRP A  83
 None
 0.92A 1bdwA-1fonA:
undetectable
1bdwB-1fonA:
undetectable		 1bdwA-1fonA:
6.10
1bdwB-1fonA:
6.10
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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		3 ALA A 528
VAL A 523
TRP A 524
 None
 0.76A 1bdwA-1h79A:
undetectable
1bdwB-1h79A:
undetectable		 1bdwA-1h79A:
2.93
1bdwB-1h79A:
2.93
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.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		3 ALA A 197
VAL A 213
TRP A 195
 None
 0.93A 1bdwA-1iirA:
undetectable
1bdwB-1iirA:
undetectable		 1bdwA-1iirA:
3.93
1bdwB-1iirA:
3.93
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.
1ltm 36 KDA SOLUBLE LYTIC
TRANSGLYCOSYLASE

(Escherichia
coli) 		PF13406
(SLT_2) 		3 ALA A 113
VAL A 319
TRP A 114
 None
 0.53A 1bdwA-1ltmA:
undetectable
1bdwB-1ltmA:
undetectable		 1bdwA-1ltmA:
3.95
1bdwB-1ltmA:
3.95
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ALA A 290
VAL A 285
TRP A 286
 None
 0.88A 1bdwA-1mdfA:
undetectable
1bdwB-1mdfA:
undetectable		 1bdwA-1mdfA:
5.24
1bdwB-1mdfA:
5.24
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.
1r2j PROTEIN FKBI

(Streptomyces
hygroscopicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ALA A 192
VAL A 141
TRP A 142
 None
None
FAD  A 399 (-4.5A)
 0.78A 1bdwA-1r2jA:
undetectable
1bdwB-1r2jA:
undetectable		 1bdwA-1r2jA:
3.96
1bdwB-1r2jA:
3.96
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		3 ALA A 161
VAL A 163
TRP A 160
 None
 0.89A 1bdwA-1rp0A:
undetectable
1bdwB-1rp0A:
undetectable		 1bdwA-1rp0A:
4.80
1bdwB-1rp0A:
4.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfs HYPOTHETICAL PROTEIN

(Geobacillus
stearothermophilus) 		PF08924
(DUF1906) 		3 ALA A 116
VAL A 118
TRP A 117
 None
 0.88A 1bdwA-1sfsA:
undetectable
1bdwB-1sfsA:
undetectable		 1bdwA-1sfsA:
7.59
1bdwB-1sfsA:
7.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2l PEROXIDASE/CATALASE
HPI

(Escherichia
coli) 		PF00141
(peroxidase) 		3 ALA A 713
VAL A 715
TRP A 714
 None
 0.78A 1bdwA-1u2lA:
undetectable
1bdwB-1u2lA:
undetectable		 1bdwA-1u2lA:
4.15
1bdwB-1u2lA:
4.15
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		3 ALA A 515
VAL A 517
TRP A 511
 None
 0.80A 1bdwA-1ulvA:
undetectable
1bdwB-1ulvA:
undetectable		 1bdwA-1ulvA:
1.30
1bdwB-1ulvA:
1.30
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		3 ALA A 467
VAL A 469
TRP A 468
 None
 0.82A 1bdwA-1yt8A:
undetectable
1bdwB-1yt8A:
undetectable		 1bdwA-1yt8A:
4.30
1bdwB-1yt8A:
4.30
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.
2fo5 CYSTEINE PROTEINASE
EP-B 2

(Hordeum vulgare) 		PF00112
(Peptidase_C1) 		3 ALA A 182
VAL A 202
TRP A 184
 None
 0.74A 1bdwA-2fo5A:
undetectable
1bdwB-2fo5A:
undetectable		 1bdwA-2fo5A:
5.64
1bdwB-2fo5A:
5.64
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		3 ALA A 214
VAL A 262
TRP A 266
 None
 0.89A 1bdwA-2gu0A:
undetectable
1bdwB-2gu0A:
undetectable		 1bdwA-2gu0A:
4.12
1bdwB-2gu0A:
4.12
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.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		3 ALA A  64
VAL A  60
TRP A  61
 None
 0.76A 1bdwA-2igtA:
undetectable
1bdwB-2igtA:
undetectable		 1bdwA-2igtA:
3.66
1bdwB-2igtA:
3.66
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.
2l27 CORTICOTROPIN-RELEAS
ING FACTOR RECEPTOR
1

(Homo sapiens) 		PF02793
(HRM) 		3 ALA A 146
VAL A 148
TRP A 155
 None
 0.83A 1bdwA-2l27A:
undetectable
1bdwB-2l27A:
undetectable		 1bdwA-2l27A:
9.52
1bdwB-2l27A:
9.52
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.
2n8f SPIDER TOXIN
PI-HEXATOXIN-HI1A

(Hadronyche
infensa) 		no annotation 3 ALA A  73
VAL A  43
TRP A  45
 None
 0.90A 1bdwA-2n8fA:
undetectable
1bdwB-2n8fA:
undetectable		 1bdwA-2n8fA:
15.38
1bdwB-2n8fA:
15.38
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.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		3 ALA A 434
VAL A 409
TRP A 399
 None
 0.86A 1bdwA-2p2mA:
undetectable
1bdwB-2p2mA:
undetectable		 1bdwA-2p2mA:
3.12
1bdwB-2p2mA:
3.12
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.
2pft EXOCYTOSIS PROTEIN

(Mus musculus) 		PF03081
(Exo70) 		3 ALA A 592
VAL A 590
TRP A 591
 None
 0.90A 1bdwA-2pftA:
undetectable
1bdwB-2pftA:
undetectable		 1bdwA-2pftA:
2.57
1bdwB-2pftA:
2.57
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.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		3 ALA A  41
VAL A  10
TRP A  39
 SO4  A 316 (-3.6A)
None
None
 0.92A 1bdwA-2qytA:
undetectable
1bdwB-2qytA:
undetectable		 1bdwA-2qytA:
5.83
1bdwB-2qytA:
5.83
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.
2rkq PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-SD

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		3 ALA A  18
VAL A  15
TRP A  20
 None
 0.85A 1bdwA-2rkqA:
undetectable
1bdwB-2rkqA:
undetectable		 1bdwA-2rkqA:
4.17
1bdwB-2rkqA:
4.17
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		3 ALA A 146
VAL A 166
TRP A 144
 None
 0.88A 1bdwA-2vn8A:
undetectable
1bdwB-2vn8A:
undetectable		 1bdwA-2vn8A:
4.96
1bdwB-2vn8A:
4.96
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.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		3 ALA A  63
VAL A  58
TRP A  59
 3ES  A1636 ( 3.9A)
None
3ES  A1636 (-3.8A)
 0.87A 1bdwA-2xy9A:
undetectable
1bdwB-2xy9A:
undetectable		 1bdwA-2xy9A:
2.08
1bdwB-2xy9A:
2.08
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.
3akc CYTIDYLATE KINASE

(Thermus
thermophilus) 		PF02224
(Cytidylate_kin) 		3 ALA A 200
VAL A 202
TRP A 201
 None
 0.91A 1bdwA-3akcA:
undetectable
1bdwB-3akcA:
undetectable		 1bdwA-3akcA:
5.56
1bdwB-3akcA:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3anv D-SERINE DEHYDRATASE

(Gallus gallus) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		3 ALA A  86
VAL A 109
TRP A 134
 PLP  A 401 ( 4.1A)
None
None
 0.93A 1bdwA-3anvA:
undetectable
1bdwB-3anvA:
undetectable		 1bdwA-3anvA:
3.50
1bdwB-3anvA:
3.50
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.
3bby UNCHARACTERIZED
GST-LIKE PROTEIN
YFCF

(Escherichia
coli) 		PF13417
(GST_N_3)
PF14834
(GST_C_4) 		3 ALA A  22
VAL A  24
TRP A  23
 None
 0.85A 1bdwA-3bbyA:
undetectable
1bdwB-3bbyA:
undetectable		 1bdwA-3bbyA:
6.80
1bdwB-3bbyA:
6.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dr2 EXPORTED
GLUCONOLACTONASE

(Xanthomonas
campestris) 		PF08450
(SGL) 		3 ALA A  10
VAL A  78
TRP A  72
 None
 0.90A 1bdwA-3dr2A:
undetectable
1bdwB-3dr2A:
undetectable		 1bdwA-3dr2A:
4.41
1bdwB-3dr2A:
4.41
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.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 ALA A 292
VAL A 294
TRP A 321
 None
 0.84A 1bdwA-3fn4A:
undetectable
1bdwB-3fn4A:
undetectable		 1bdwA-3fn4A:
3.01
1bdwB-3fn4A:
3.01
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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 ALA A 442
VAL A 491
TRP A 495
 None
 0.92A 1bdwA-3g4fA:
undetectable
1bdwB-3g4fA:
undetectable		 1bdwA-3g4fA:
2.51
1bdwB-3g4fA:
2.51
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.
3gms PUTATIVE
NADPH:QUINONE
REDUCTASE

(Bacillus
thuringiensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ALA A 130
VAL A 132
TRP A 131
 None
 0.79A 1bdwA-3gmsA:
undetectable
1bdwB-3gmsA:
undetectable		 1bdwA-3gmsA:
6.78
1bdwB-3gmsA:
6.78
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.
3hzj RAB
GTPASE-ACTIVATING
PROTEIN 1-LIKE

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		3 ALA A 552
VAL A 547
TRP A 548
 None
 0.88A 1bdwA-3hzjA:
undetectable
1bdwB-3hzjA:
undetectable		 1bdwA-3hzjA:
4.62
1bdwB-3hzjA:
4.62
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.
3iib PEPTIDASE M28

(Shewanella
amazonensis) 		PF04389
(Peptidase_M28) 		3 ALA A 450
VAL A 452
TRP A 451
 None
 0.84A 1bdwA-3iibA:
undetectable
1bdwB-3iibA:
undetectable		 1bdwA-3iibA:
3.54
1bdwB-3iibA:
3.54
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.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		3 ALA A 454
VAL A 263
TRP A 472
 None
 0.91A 1bdwA-3iukA:
undetectable
1bdwB-3iukA:
undetectable		 1bdwA-3iukA:
2.52
1bdwB-3iukA:
2.52
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.
3k4w UNCHARACTERIZED
PROTEIN BB4693

(Bordetella
bronchiseptica) 		PF04909
(Amidohydro_2) 		3 ALA A 128
VAL A 126
TRP A 127
 None
 0.67A 1bdwA-3k4wA:
undetectable
1bdwB-3k4wA:
undetectable		 1bdwA-3k4wA:
6.32
1bdwB-3k4wA:
6.32
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		3 ALA A 661
VAL A 663
TRP A 662
 None
None
SO4  A  14 (-3.8A)
 0.77A 1bdwA-3k7dA:
undetectable
1bdwB-3k7dA:
undetectable		 1bdwA-3k7dA:
3.15
1bdwB-3k7dA:
3.15
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		3 ALA A 262
VAL A 264
TRP A 263
 None
 0.75A 1bdwA-3kt4A:
undetectable
1bdwB-3kt4A:
undetectable		 1bdwA-3kt4A:
2.06
1bdwB-3kt4A:
2.06
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.
3l9c 3-DEHYDROQUINATE
DEHYDRATASE

(Streptococcus
mutans) 		PF01487
(DHquinase_I) 		3 ALA A  15
VAL A   7
TRP A  31
 None
 0.92A 1bdwA-3l9cA:
undetectable
1bdwB-3l9cA:
undetectable		 1bdwA-3l9cA:
4.44
1bdwB-3l9cA:
4.44
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.
3m1y PHOSPHOSERINE
PHOSPHATASE (SERB)

(Helicobacter
pylori) 		PF00702
(Hydrolase) 		3 ALA A  25
VAL A  28
TRP A  26
 None
 0.74A 1bdwA-3m1yA:
undetectable
1bdwB-3m1yA:
undetectable		 1bdwA-3m1yA:
7.34
1bdwB-3m1yA:
7.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg9 TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		3 ALA A  83
VAL A  85
TRP A   6
 None
 0.84A 1bdwA-3mg9A:
undetectable
1bdwB-3mg9A:
undetectable		 1bdwA-3mg9A:
5.81
1bdwB-3mg9A:
5.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgb TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		3 ALA A  83
VAL A  85
TRP A   6
 None
 0.84A 1bdwA-3mgbA:
undetectable
1bdwB-3mgbA:
undetectable		 1bdwA-3mgbA:
4.04
1bdwB-3mgbA:
4.04
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.
3nbi RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
1

(Homo sapiens) 		PF08585
(RMI1_N) 		3 ALA A  16
VAL A  20
TRP A  18
 None
 0.80A 1bdwA-3nbiA:
undetectable
1bdwB-3nbiA:
undetectable		 1bdwA-3nbiA:
7.63
1bdwB-3nbiA:
7.63
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.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		3 ALA A 231
VAL A 225
TRP A 222
 None
 0.88A 1bdwA-3q3cA:
undetectable
1bdwB-3q3cA:
undetectable		 1bdwA-3q3cA:
4.44
1bdwB-3q3cA:
4.44
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.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ALA A  63
VAL A  65
TRP A  64
 None
SO4  A 403 ( 4.8A)
SO4  A 403 (-4.2A)
 0.90A 1bdwA-3qldA:
undetectable
1bdwB-3qldA:
undetectable		 1bdwA-3qldA:
3.67
1bdwB-3qldA:
3.67
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.
3rr6 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacteroides
abscessus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		3 ALA A 208
VAL A 213
TRP A 212
 PEG  A 274 (-3.8A)
None
None
 0.91A 1bdwA-3rr6A:
undetectable
1bdwB-3rr6A:
undetectable		 1bdwA-3rr6A:
5.94
1bdwB-3rr6A:
5.94
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.
3rr6 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacteroides
abscessus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		3 ALA A 215
VAL A 213
TRP A 212
 None
 0.92A 1bdwA-3rr6A:
undetectable
1bdwB-3rr6A:
undetectable		 1bdwA-3rr6A:
5.94
1bdwB-3rr6A:
5.94
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.
3uki OXYR

(Porphyromonas
gingivalis) 		PF03466
(LysR_substrate) 		3 ALA A 227
VAL A 232
TRP A 192
 None
 0.92A 1bdwA-3ukiA:
undetectable
1bdwB-3ukiA:
undetectable		 1bdwA-3ukiA:
8.49
1bdwB-3ukiA:
8.49
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.
3unv ADMH

(Pantoea
agglomerans) 		PF00221
(Lyase_aromatic) 		3 ALA A 175
VAL A 180
TRP A 185
 None
 0.79A 1bdwA-3unvA:
undetectable
1bdwB-3unvA:
undetectable		 1bdwA-3unvA:
6.47
1bdwB-3unvA:
6.47
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 ALA A 314
VAL A 312
TRP A 305
 EDO  A 471 (-3.3A)
None
EDO  A 471 (-3.9A)
 0.88A 1bdwA-3uw2A:
undetectable
1bdwB-3uw2A:
undetectable		 1bdwA-3uw2A:
2.95
1bdwB-3uw2A:
2.95
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.
3v48 PUTATIVE
AMINOACRYLATE
HYDROLASE RUTD

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		3 ALA A 139
VAL A 141
TRP A 140
 None
None
SCN  A 269 (-4.4A)
 0.77A 1bdwA-3v48A:
undetectable
1bdwB-3v48A:
undetectable		 1bdwA-3v48A:
6.99
1bdwB-3v48A:
6.99
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.
3v48 PUTATIVE
AMINOACRYLATE
HYDROLASE RUTD

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		3 ALA A 143
VAL A 141
TRP A 140
 None
None
SCN  A 269 (-4.4A)
 0.89A 1bdwA-3v48A:
undetectable
1bdwB-3v48A:
undetectable		 1bdwA-3v48A:
6.99
1bdwB-3v48A:
6.99
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.
3zjk BETA GLYCOSIDASE

(Thermus
thermophilus) 		PF00232
(Glyco_hydro_1) 		3 ALA A 351
VAL A 353
TRP A 347
 None
 0.79A 1bdwA-3zjkA:
undetectable
1bdwB-3zjkA:
undetectable		 1bdwA-3zjkA:
3.41
1bdwB-3zjkA:
3.41
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.
4ddp BECLIN-1

(Homo sapiens) 		PF04111
(APG6) 		3 ALA A 441
VAL A 443
TRP A 442
 None
 0.78A 1bdwA-4ddpA:
undetectable
1bdwB-4ddpA:
undetectable		 1bdwA-4ddpA:
5.15
1bdwB-4ddpA:
5.15
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.
4dzr PROTEIN-(GLUTAMINE-N
5)
METHYLTRANSFERASE,
RELEASE
FACTOR-SPECIFIC

(Alicyclobacillus
acidocaldarius) 		PF05175
(MTS) 		3 ALA A 253
VAL A 251
TRP A 200
 None
 0.86A 1bdwA-4dzrA:
undetectable
1bdwB-4dzrA:
undetectable		 1bdwA-4dzrA:
7.82
1bdwB-4dzrA:
7.82
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.
4eca L-ASPARAGINE
AMIDOHYDROLASE

(Escherichia
coli) 		PF00710
(Asparaginase) 		3 ALA A  70
VAL A  65
TRP A  66
 None
 0.90A 1bdwA-4ecaA:
undetectable
1bdwB-4ecaA:
undetectable		 1bdwA-4ecaA:
3.67
1bdwB-4ecaA:
3.67
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.
4f06 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		3 ALA A  51
VAL A  53
TRP A  52
 None
 0.86A 1bdwA-4f06A:
undetectable
1bdwB-4f06A:
undetectable		 1bdwA-4f06A:
3.33
1bdwB-4f06A:
3.33
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.
4fdu PUTATIVE MULTIPLE
INOSITOL
POLYPHOSPHATE
HISTIDINE
PHOSPHATASE 1

(Bacteroides
thetaiotaomicron) 		PF00328
(His_Phos_2) 		3 ALA A 283
VAL A 341
TRP A 353
 None
 0.58A 1bdwA-4fduA:
undetectable
1bdwB-4fduA:
undetectable		 1bdwA-4fduA:
3.16
1bdwB-4fduA:
3.16
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.
4h19 MANDELATE RACEMASE

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ALA A  53
VAL A  32
TRP A  30
 None
 0.87A 1bdwA-4h19A:
undetectable
1bdwB-4h19A:
undetectable		 1bdwA-4h19A:
6.44
1bdwB-4h19A:
6.44
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.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		3 ALA A  36
VAL A  38
TRP A  37
 None
 0.89A 1bdwA-4ha4A:
undetectable
1bdwB-4ha4A:
undetectable		 1bdwA-4ha4A:
12.24
1bdwB-4ha4A:
12.24
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.
4hw6 HYPOTHETICAL
PROTEIN, IPT/TIG
DOMAIN PROTEIN

(Bacteroides
ovatus) 		PF01833
(TIG) 		3 ALA A 195
VAL A 190
TRP A 189
 CL  A 506 ( 3.8A)
None
None
 0.84A 1bdwA-4hw6A:
undetectable
1bdwB-4hw6A:
undetectable		 1bdwA-4hw6A:
5.20
1bdwB-4hw6A:
5.20
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.
4i9r CELLULAR RETINOIC
ACID-BINDING PROTEIN
2

(Homo sapiens) 		PF00061
(Lipocalin) 		3 ALA A  36
VAL A  33
TRP A  32
 None
None
RET  A 201 (-4.5A)
 0.89A 1bdwA-4i9rA:
undetectable
1bdwB-4i9rA:
undetectable		 1bdwA-4i9rA:
10.48
1bdwB-4i9rA:
10.48
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.
4iru LEPB

(Legionella
pneumophila) 		no annotation 3 ALA A 463
VAL A 465
TRP A 464
 None
 0.86A 1bdwA-4iruA:
undetectable
1bdwB-4iruA:
undetectable		 1bdwA-4iruA:
4.88
1bdwB-4iruA:
4.88
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.
4jw1 EFFECTOR PROTEIN B

(Legionella
pneumophila) 		no annotation 3 ALA A 463
VAL A 465
TRP A 464
 None
 0.93A 1bdwA-4jw1A:
undetectable
1bdwB-4jw1A:
undetectable		 1bdwA-4jw1A:
2.33
1bdwB-4jw1A:
2.33
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.
4lp4 ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR

(Homo sapiens) 		PF00047
(ig)
PF08205
(C2-set_2) 		3 ALA A  76
VAL A  78
TRP A  51
 None
 0.92A 1bdwA-4lp4A:
undetectable
1bdwB-4lp4A:
undetectable		 1bdwA-4lp4A:
4.25
1bdwB-4lp4A:
4.25
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.
4m9x CELL DEATH PROTEIN 4

(Caenorhabditis
elegans) 		PF00619
(CARD)
PF00931
(NB-ARC) 		3 ALA A 392
VAL A 413
TRP A 410
 None
 0.90A 1bdwA-4m9xA:
undetectable
1bdwB-4m9xA:
undetectable		 1bdwA-4m9xA:
9.52
1bdwB-4m9xA:
9.52
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.
4nyn RIBONUCLEASE HI

(Halobacterium
salinarum) 		PF13456
(RVT_3) 		3 ALA A 188
VAL A  87
TRP A  89
 None
 0.65A 1bdwA-4nynA:
undetectable
1bdwB-4nynA:
undetectable		 1bdwA-4nynA:
8.00
1bdwB-4nynA:
8.00
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 ALA A4764
VAL A4766
TRP A4765
 None
 0.91A 1bdwA-4opeA:
undetectable
1bdwB-4opeA:
undetectable		 1bdwA-4opeA:
2.28
1bdwB-4opeA:
2.28
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.
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN

(Streptococcus
pyogenes) 		PF16569
(GramPos_pilinBB) 		3 ALA A 428
VAL A 426
TRP A 425
 None
 0.92A 1bdwA-4p0dA:
undetectable
1bdwB-4p0dA:
undetectable		 1bdwA-4p0dA:
2.35
1bdwB-4p0dA:
2.35
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.
4u8h CRYPTOCHROME-2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 ALA A 247
VAL A 249
TRP A 248
 None
 0.92A 1bdwA-4u8hA:
undetectable
1bdwB-4u8hA:
undetectable		 1bdwA-4u8hA:
3.08
1bdwB-4u8hA:
3.08
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.
4whm UDP-GLUCOSE:ANTHOCYA
NIDIN
3-O-GLUCOSYLTRANSFER
ASE

(Clitoria
ternatea) 		PF00201
(UDPGT) 		3 ALA A 133
VAL A 211
TRP A 135
 None
 0.93A 1bdwA-4whmA:
undetectable
1bdwB-4whmA:
undetectable		 1bdwA-4whmA:
10.43
1bdwB-4whmA:
10.43
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.
4xrt STFQ
AROMATASE/CYCLASE

(Streptomyces
steffisburgensis) 		PF03364
(Polyketide_cyc) 		3 ALA A  42
VAL A  40
TRP A  58
 None
 0.90A 1bdwA-4xrtA:
undetectable
1bdwB-4xrtA:
undetectable		 1bdwA-4xrtA:
3.44
1bdwB-4xrtA:
3.44
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.
5bnc HEME BINDING PROTEIN
MSMEG_6519

(Mycolicibacterium
smegmatis) 		PF10615
(DUF2470)
PF13883
(Pyrid_oxidase_2) 		3 ALA A 106
VAL A 108
TRP A 157
 None
EPE  A 304 ( 4.7A)
None
 0.74A 1bdwA-5bncA:
undetectable
1bdwB-5bncA:
undetectable		 1bdwA-5bncA:
5.58
1bdwB-5bncA:
5.58
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.
5e1h F8(JOB10) VHH
ANTIBODY

(Vicugna pacos) 		PF07686
(V-set) 		3 ALA B 113
VAL B 111
TRP B 112
 None
 0.90A 1bdwA-5e1hB:
undetectable
1bdwB-5e1hB:
undetectable		 1bdwA-5e1hB:
9.24
1bdwB-5e1hB:
9.24
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		3 ALA A 349
VAL A 343
TRP A 348
 None
 0.69A 1bdwA-5e6sA:
undetectable
1bdwB-5e6sA:
undetectable		 1bdwA-5e6sA:
1.61
1bdwB-5e6sA:
1.61
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		3 ALA A  76
VAL A  78
TRP A 104
 None
 0.84A 1bdwA-5ereA:
undetectable
1bdwB-5ereA:
undetectable		 1bdwA-5ereA:
2.58
1bdwB-5ereA:
2.58
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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		3 ALA A 259
VAL A 261
TRP A 260
 None
 0.80A 1bdwA-5f4zA:
undetectable
1bdwB-5f4zA:
undetectable		 1bdwA-5f4zA:
9.43
1bdwB-5f4zA:
9.43
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.
5fip GH5 CELLULASE

(unidentified) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		3 ALA A 100
VAL A 353
TRP A 108
 None
 0.89A 1bdwA-5fipA:
undetectable
1bdwB-5fipA:
undetectable		 1bdwA-5fipA:
7.21
1bdwB-5fipA:
7.21
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		3 ALA A 437
VAL A 378
TRP A 381
 None
 0.90A 1bdwA-5gooA:
undetectable
1bdwB-5gooA:
undetectable		 1bdwA-5gooA:
2.98
1bdwB-5gooA:
2.98
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		3 ALA A 105
VAL A 101
TRP A 102
 None
 0.84A 1bdwA-5iaiA:
undetectable
1bdwB-5iaiA:
undetectable		 1bdwA-5iaiA:
4.04
1bdwB-5iaiA:
4.04
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.
5k4g L-ASPARAGINASE

(Wolinella
succinogenes) 		PF00710
(Asparaginase) 		3 ALA A  72
VAL A  67
TRP A  68
 None
 0.91A 1bdwA-5k4gA:
undetectable
1bdwB-5k4gA:
undetectable		 1bdwA-5k4gA:
5.12
1bdwB-5k4gA:
5.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kol UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF02464
(CinA) 		3 ALA A  94
VAL A  89
TRP A 132
 None
 0.65A 1bdwA-5kolA:
undetectable
1bdwB-5kolA:
undetectable		 1bdwA-5kolA:
44.44
1bdwB-5kolA:
44.44
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		3 ALA A 295
VAL A 293
TRP A 309
 None
MPD  A 806 ( 4.6A)
None
 0.93A 1bdwA-5kqiA:
undetectable
1bdwB-5kqiA:
undetectable		 1bdwA-5kqiA:
3.39
1bdwB-5kqiA:
3.39
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.
5kte DIVALENT METAL
CATION TRANSPORTER
MNTH

(Deinococcus
radiodurans) 		PF01566
(Nramp) 		3 ALA A 419
VAL A 417
TRP A 416
 None
 0.81A 1bdwA-5kteA:
undetectable
1bdwB-5kteA:
undetectable		 1bdwA-5kteA:
3.54
1bdwB-5kteA:
3.54
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.
5lwg VP3

(Israeli acute
paralysis virus) 		no annotation 3 ALA C  17
VAL C  15
TRP C  18
 None
 0.90A 1bdwA-5lwgC:
undetectable
1bdwB-5lwgC:
undetectable		 1bdwA-5lwgC:
5.29
1bdwB-5lwgC:
5.29
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.
5msx PUTATIVE
ENDO-1,4-BETA-XYLANA
SE

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF04616
(Glyco_hydro_43) 		3 ALA A  51
VAL A  68
TRP A  69
 None
 0.92A 1bdwA-5msxA:
undetectable
1bdwB-5msxA:
undetectable		 1bdwA-5msxA:
8.05
1bdwB-5msxA:
8.05
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.
5nh1 GASDERMIN-D

(Homo sapiens) 		PF04598
(Gasdermin) 		3 ALA A 438
VAL A 440
TRP A 439
 None
 0.72A 1bdwA-5nh1A:
undetectable
1bdwB-5nh1A:
undetectable		 1bdwA-5nh1A:
7.83
1bdwB-5nh1A:
7.83
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		3 ALA T2559
VAL T2561
TRP T2560
 None
 0.89A 1bdwA-5ojsT:
undetectable
1bdwB-5ojsT:
undetectable		 1bdwA-5ojsT:
0.58
1bdwB-5ojsT:
0.58
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 3 ALA 1 380
VAL 1 520
TRP 1 618
 None
 0.92A 1bdwA-5oy01:
undetectable
1bdwB-5oy01:
undetectable		 1bdwA-5oy01:
undetectable
1bdwB-5oy01:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		3 ALA A 129
VAL A 133
TRP A 127
 None
 0.87A 1bdwA-5svcA:
undetectable
1bdwB-5svcA:
undetectable		 1bdwA-5svcA:
3.16
1bdwB-5svcA:
3.16
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.
5w4x UDP-GLUCOSE
6-DEHYDROGENASE

(Homo sapiens) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		3 ALA A 137
VAL A 134
TRP A 214
 None
 0.70A 1bdwA-5w4xA:
undetectable
1bdwB-5w4xA:
undetectable		 1bdwA-5w4xA:
4.18
1bdwB-5w4xA:
4.18
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.
5wqs BETA-AMYLASE

(Ipomoea batatas) 		no annotation 3 ALA A  26
VAL A  24
TRP A  56
 None
 0.87A 1bdwA-5wqsA:
undetectable
1bdwB-5wqsA:
undetectable		 1bdwA-5wqsA:
undetectable
1bdwB-5wqsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wua ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL
11,SUPERFOLDER GFP

(Mus musculus;
synthetic
construct) 		PF01007
(IRK) 		3 ALA A  94
VAL A  89
TRP A  90
 None
 0.87A 1bdwA-5wuaA:
undetectable
1bdwB-5wuaA:
undetectable		 1bdwA-5wuaA:
4.23
1bdwB-5wuaA:
4.23
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.
5x1u UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 3 ALA A 282
VAL A 284
TRP A 212
 None
 0.72A 1bdwA-5x1uA:
undetectable
1bdwB-5x1uA:
undetectable		 1bdwA-5x1uA:
9.77
1bdwB-5x1uA:
9.77
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 3 ALA A 438
VAL A 379
TRP A 382
 None
 0.86A 1bdwA-5z73A:
undetectable
1bdwB-5z73A:
undetectable		 1bdwA-5z73A:
undetectable
1bdwB-5z73A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zkp PLATELET-ACTIVATING
FACTOR
RECEPTOR,FLAVODOXIN,
PLATELET-ACTIVATING
FACTOR RECEPTOR

(Desulfovibrio
vulgaris;
Homo sapiens) 		no annotation 3 ALA A  41
VAL A  39
TRP A  38
 None
 0.79A 1bdwA-5zkpA:
undetectable
1bdwB-5zkpA:
undetectable		 1bdwA-5zkpA:
undetectable
1bdwB-5zkpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ao9 BACTERIO-RHODOPSIN/G
UANYLYL CYCLASE 1
FUSION PROTEIN

(Blastocladiella
emersonii) 		no annotation 3 ALA A 445
VAL A 557
TRP A 565
 None
 0.89A 1bdwA-6ao9A:
undetectable
1bdwB-6ao9A:
undetectable		 1bdwA-6ao9A:
8.55
1bdwB-6ao9A:
8.55
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 3 ALA A1089
VAL A1093
TRP A1098
 None
 0.80A 1bdwA-6cipA:
undetectable
1bdwB-6cipA:
undetectable		 1bdwA-6cipA:
undetectable
1bdwB-6cipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6df3 -

(-) 		no annotation 3 ALA L 209
VAL L 205
TRP L 208
 None
 0.92A 1bdwA-6df3L:
undetectable
1bdwB-6df3L:
undetectable		 1bdwA-6df3L:
undetectable
1bdwB-6df3L:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6exc ICMP (DOTM)

(Legionella
pneumophila) 		no annotation 3 ALA A 282
VAL A 284
TRP A 212
 None
 0.75A 1bdwA-6excA:
undetectable
1bdwB-6excA:
undetectable		 1bdwA-6excA:
undetectable
1bdwB-6excA:
undetectable