SIMILAR PATTERNS OF AMINO ACIDS FOR 3BPX_A_SALA257

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.
1b35 PROTEIN (CRICKET
PARALYSIS VIRUS,
VP1)

(Cricket
paralysis virus) 		PF08762
(CRPV_capsid) 		4 ALA A 150
THR A  76
ILE A 196
THR A  74
 None
 0.73A 3bpxA-1b35A:
0.0
3bpxB-1b35A:
undetectable		 3bpxA-1b35A:
19.62
3bpxB-1b35A:
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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		4 PHE A  52
THR A  26
ILE A  29
THR A  28
 None
 0.93A 3bpxA-1bheA:
0.0
3bpxB-1bheA:
0.0		 3bpxA-1bheA:
17.30
3bpxB-1bheA:
17.30
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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 SER B2212
ALA B2387
THR B2380
THR B2353
 None
 0.97A 3bpxA-1e6yB:
0.0
3bpxB-1e6yB:
0.0		 3bpxA-1e6yB:
15.94
3bpxB-1e6yB:
15.94
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.
1fht U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN A

(Homo sapiens) 		PF00076
(RRM_1) 		4 SER A  70
ALA A  64
PHE A  33
ILE A  39
 None
 0.98A 3bpxA-1fhtA:
0.0
3bpxB-1fhtA:
0.0		 3bpxA-1fhtA:
22.88
3bpxB-1fhtA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jlv GLUTATHIONE
TRANSFERASE GST1-3

(Anopheles
cracens) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 SER A  65
ARG A  66
ALA A  10
THR A 165
 GSH  A 701 (-2.5A)
GSH  A 701 (-3.5A)
None
None
 0.95A 3bpxA-1jlvA:
undetectable
3bpxB-1jlvA:
2.0		 3bpxA-1jlvA:
20.93
3bpxB-1jlvA:
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.
1khu SMAD1

(Homo sapiens) 		PF03166
(MH2) 		4 CYH A 434
THR A 322
ILE A 323
THR A 326
 None
 0.93A 3bpxA-1khuA:
0.0
3bpxB-1khuA:
0.0		 3bpxA-1khuA:
20.83
3bpxB-1khuA:
20.83
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.
1rcd L FERRITIN

(Rana
catesbeiana) 		PF00210
(Ferritin) 		4 SER A  26
ALA A  99
THR A 140
ILE A 141
 None
 0.90A 3bpxA-1rcdA:
1.6
3bpxB-1rcdA:
undetectable		 3bpxA-1rcdA:
19.34
3bpxB-1rcdA:
19.34
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.
1t9h PROBABLE GTPASE ENGC

(Bacillus
subtilis) 		PF03193
(RsgA_GTPase)
PF16745
(RsgA_N) 		4 PHE A  92
THR A 126
ILE A 130
THR A 129
 None
 0.98A 3bpxA-1t9hA:
0.0
3bpxB-1t9hA:
0.0		 3bpxA-1t9hA:
20.98
3bpxB-1t9hA:
20.98
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.
1u0u DIHYDROPINOSYLVIN
SYNTHASE

(Pinus
sylvestris) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 CYH A 285
PHE A 374
THR A 381
ILE A 382
THR A 248
 None
 1.49A 3bpxA-1u0uA:
0.0
3bpxB-1u0uA:
undetectable		 3bpxA-1u0uA:
17.01
3bpxB-1u0uA:
17.01
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		4 ALA A 158
PHE A 121
ILE A  39
THR A  42
 None
SAM  A 400 (-4.6A)
None
None
 0.87A 3bpxA-1v2xA:
0.1
3bpxB-1v2xA:
0.0		 3bpxA-1v2xA:
21.78
3bpxB-1v2xA:
21.78
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		4 ALA A  20
THR A 344
ILE A 345
THR A 348
 None
 0.75A 3bpxA-1v5bA:
undetectable
3bpxB-1v5bA:
undetectable		 3bpxA-1v5bA:
19.33
3bpxB-1v5bA:
19.33
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		4 ALA A 377
THR A 421
ILE A  18
THR A 418
 None
 0.92A 3bpxA-1x3lA:
undetectable
3bpxB-1x3lA:
undetectable		 3bpxA-1x3lA:
16.59
3bpxB-1x3lA:
16.59
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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		4 ALA A 281
PHE A 123
THR A 115
ILE A 114
 None
 0.69A 3bpxA-1ym5A:
undetectable
3bpxB-1ym5A:
undetectable		 3bpxA-1ym5A:
18.12
3bpxB-1ym5A:
18.12
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.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		4 ALA A 170
CYH A 173
THR A 121
ILE A 125
 None
 0.98A 3bpxA-1zjyA:
undetectable
3bpxB-1zjyA:
undetectable		 3bpxA-1zjyA:
20.08
3bpxB-1zjyA:
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.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		4 ALA A  81
THR A  58
ILE A   9
THR A  54
 None
 0.94A 3bpxA-1zuwA:
undetectable
3bpxB-1zuwA:
undetectable		 3bpxA-1zuwA:
19.12
3bpxB-1zuwA:
19.12
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		4 SER A 170
ALA A 160
CYH A 186
THR A 133
 None
 0.79A 3bpxA-2f2aA:
undetectable
3bpxB-2f2aA:
undetectable		 3bpxA-2f2aA:
13.73
3bpxB-2f2aA:
13.73
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.
2g2x HYPOTHETICAL PROTEIN
PP5205

(Pseudomonas
putida) 		PF01878
(EVE) 		4 ALA A 100
PHE A  47
ILE A  65
THR A  66
 None
 0.96A 3bpxA-2g2xA:
undetectable
3bpxB-2g2xA:
undetectable		 3bpxA-2g2xA:
22.02
3bpxB-2g2xA:
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.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ARG A  36
ALA A 550
THR A 519
ILE A 518
 None
 0.91A 3bpxA-2gskA:
undetectable
3bpxB-2gskA:
undetectable		 3bpxA-2gskA:
14.95
3bpxB-2gskA:
14.95
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.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		4 ALA A 244
THR A 116
ILE A 117
THR A 120
 None
 0.55A 3bpxA-2i6dA:
undetectable
3bpxB-2i6dA:
undetectable		 3bpxA-2i6dA:
20.08
3bpxB-2i6dA:
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.
2i7g MONOOXYGENASE

(Agrobacterium
fabrum) 		PF00296
(Bac_luciferase) 		4 ALA A  67
PHE A  45
ILE A  74
THR A  71
 None
 0.86A 3bpxA-2i7gA:
undetectable
3bpxB-2i7gA:
undetectable		 3bpxA-2i7gA:
16.80
3bpxB-2i7gA:
16.80
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		4 ARG A 216
CYH A 373
THR A  63
ILE A  64
 None
 0.98A 3bpxA-2i7xA:
undetectable
3bpxB-2i7xA:
undetectable		 3bpxA-2i7xA:
12.25
3bpxB-2i7xA:
12.25
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.
2jfw GLUTAMATE RACEMASE

(Enterococcus
faecium) 		PF01177
(Asp_Glu_race) 		4 ALA A  84
THR A  62
ILE A  13
THR A  58
 None
 0.90A 3bpxA-2jfwA:
undetectable
3bpxB-2jfwA:
undetectable		 3bpxA-2jfwA:
18.09
3bpxB-2jfwA:
18.09
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.
2pa4 UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00483
(NTP_transferase) 		4 SER A 210
ALA A 214
THR A 242
ILE A 245
 None
UPG  A 326 (-3.9A)
UPG  A 326 (-4.3A)
None
 0.87A 3bpxA-2pa4A:
undetectable
3bpxB-2pa4A:
undetectable		 3bpxA-2pa4A:
19.18
3bpxB-2pa4A:
19.18
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.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 CYH A 263
THR A 296
ILE A 297
THR A 300
 None
 0.77A 3bpxA-2ph5A:
undetectable
3bpxB-2ph5A:
undetectable		 3bpxA-2ph5A:
15.50
3bpxB-2ph5A:
15.50
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.
2plj LYSINE/ORNITHINE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 SER A 197
ARG A 273
THR A 369
THR A 372
 P3T  A 501 (-2.5A)
P3T  A 501 (-4.8A)
None
None
 0.89A 3bpxA-2pljA:
undetectable
3bpxB-2pljA:
undetectable		 3bpxA-2pljA:
17.87
3bpxB-2pljA:
17.87
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.
2put ISOMERASE DOMAIN OF
GLUTAMINE-FRUCTOSE-6
-PHOSPHATE
TRANSAMINASE
(ISOMERIZING)

(Candida
albicans) 		PF01380
(SIS) 		4 ALA A 430
PHE A 448
THR A 455
ILE A 459
 None
None
F6R  A5003 (-3.2A)
None
 0.96A 3bpxA-2putA:
undetectable
3bpxB-2putA:
undetectable		 3bpxA-2putA:
17.93
3bpxB-2putA:
17.93
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.
2qz7 UNCHARACTERIZED
PROTEIN SCO6318

(Streptomyces
coelicolor) 		PF02342
(TerD) 		4 SER A 175
ALA A 181
ILE A 106
THR A  47
 None
 0.79A 3bpxA-2qz7A:
undetectable
3bpxB-2qz7A:
undetectable		 3bpxA-2qz7A:
22.34
3bpxB-2qz7A:
22.34
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.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis) 		PF01256
(Carb_kinase) 		4 ALA A  75
CYH A  72
ILE A  42
THR A  45
 None
 0.97A 3bpxA-2r3bA:
undetectable
3bpxB-2r3bA:
undetectable		 3bpxA-2r3bA:
20.71
3bpxB-2r3bA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 SER A  35
THR A 125
ILE A 127
THR A 113
 None
 0.97A 3bpxA-2r5vA:
undetectable
3bpxB-2r5vA:
undetectable		 3bpxA-2r5vA:
18.11
3bpxB-2r5vA:
18.11
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ALA A 194
THR A 177
ILE A 178
THR A  45
 None
 0.97A 3bpxA-2va8A:
8.2
3bpxB-2va8A:
6.7		 3bpxA-2va8A:
12.13
3bpxB-2va8A:
12.13
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 SER A 639
ARG A 547
ALA A 585
ILE A 554
 None
 0.84A 3bpxA-2xe4A:
undetectable
3bpxB-2xe4A:
undetectable		 3bpxA-2xe4A:
10.75
3bpxB-2xe4A:
10.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bpv TRANSCRIPTIONAL
REGULATOR

(Methanothermobacter
thermautotrophicus) 		PF01047
(MarR) 		6 ALA A  34
CYH A  38
PHE A  57
THR A  63
ILE A  64
THR A  67
 None
 0.51A 3bpxA-3bpvA:
21.7
3bpxB-3bpvA:
21.5		 3bpxA-3bpvA:
100.00
3bpxB-3bpvA:
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.
3cpj GTP-BINDING PROTEIN
YPT31/YPT8

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		4 PHE B 167
THR B 153
ILE B 124
THR B 155
 None
 0.98A 3bpxA-3cpjB:
undetectable
3bpxB-3cpjB:
undetectable		 3bpxA-3cpjB:
19.64
3bpxB-3cpjB:
19.64
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.
3ctm CARBONYL REDUCTASE

(Candida
parapsilosis) 		PF13561
(adh_short_C2) 		4 SER A  42
ALA A  62
THR A 101
ILE A 102
 None
 0.77A 3bpxA-3ctmA:
undetectable
3bpxB-3ctmA:
undetectable		 3bpxA-3ctmA:
16.96
3bpxB-3ctmA:
16.96
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.
3dit PROTEIN MOTHERS
AGAINST DPP

(Drosophila
melanogaster) 		PF03166
(MH2) 		4 CYH A 424
THR A 312
ILE A 313
THR A 316
 None
 0.88A 3bpxA-3ditA:
undetectable
3bpxB-3ditA:
undetectable		 3bpxA-3ditA:
18.27
3bpxB-3ditA:
18.27
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.
3f6f CG18548-PA
(IP02196P)
(IP02193P)

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 SER A  66
ARG A  67
ALA A  10
THR A 166
 None
 0.92A 3bpxA-3f6fA:
2.1
3bpxB-3f6fA:
undetectable		 3bpxA-3f6fA:
19.43
3bpxB-3f6fA:
19.43
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.
3g7j GLUTATHIONE
TRANSFERASE GST1-4

(Anopheles dirus) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 SER A  66
ARG A  67
ALA A  10
THR A 174
 GTX  A 220 (-2.6A)
GTX  A 220 (-3.6A)
None
None
 0.96A 3bpxA-3g7jA:
undetectable
3bpxB-3g7jA:
undetectable		 3bpxA-3g7jA:
18.72
3bpxB-3g7jA:
18.72
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.
3g8d BIOTIN CARBOXYLASE

(Escherichia
coli) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ARG A 270
PHE A 102
THR A 109
ILE A 110
THR A 291
 None
 1.33A 3bpxA-3g8dA:
undetectable
3bpxB-3g8dA:
undetectable		 3bpxA-3g8dA:
17.66
3bpxB-3g8dA:
17.66
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.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		4 ALA A 295
THR A 370
ILE A 369
THR A 366
 None
 0.92A 3bpxA-3g8mA:
undetectable
3bpxB-3g8mA:
undetectable		 3bpxA-3g8mA:
16.46
3bpxB-3g8mA:
16.46
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.
3gmj PROTEIN MOTHERS
AGAINST DPP

(Drosophila
melanogaster) 		no annotation 4 CYH D 424
THR D 312
ILE D 313
THR D 316
 None
 0.88A 3bpxA-3gmjD:
undetectable
3bpxB-3gmjD:
undetectable		 3bpxA-3gmjD:
24.66
3bpxB-3gmjD:
24.66
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.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		4 SER A 163
ALA A 153
CYH A 179
THR A 126
 None
 0.84A 3bpxA-3h0lA:
undetectable
3bpxB-3h0lA:
undetectable		 3bpxA-3h0lA:
17.22
3bpxB-3h0lA:
17.22
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.
3hvm AGMATINE DEIMINASE

(Helicobacter
pylori) 		PF04371
(PAD_porph) 		4 ALA A 281
CYH A 278
THR A  42
ILE A  43
 None
 0.83A 3bpxA-3hvmA:
undetectable
3bpxB-3hvmA:
undetectable		 3bpxA-3hvmA:
17.30
3bpxB-3hvmA:
17.30
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.
3ihs PHOSPHOCARRIER
PROTEIN HPR

(Bacillus
anthracis) 		PF00381
(PTS-HPr) 		4 ALA A  70
PHE A  29
ILE A  33
THR A  65
 None
 0.91A 3bpxA-3ihsA:
undetectable
3bpxB-3ihsA:
undetectable		 3bpxA-3ihsA:
19.33
3bpxB-3ihsA:
19.33
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.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 SER A  70
ALA A  96
ILE A  25
THR A  21
 None
 0.83A 3bpxA-3k92A:
undetectable
3bpxB-3k92A:
undetectable		 3bpxA-3k92A:
18.26
3bpxB-3k92A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kcu PROBABLE FORMATE
TRANSPORTER 1

(Escherichia
coli) 		PF01226
(Form_Nir_trans) 		4 PHE A  49
THR A  54
ILE A  53
THR A  56
 None
 0.91A 3bpxA-3kcuA:
undetectable
3bpxB-3kcuA:
undetectable		 3bpxA-3kcuA:
15.79
3bpxB-3kcuA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 SER B 215
ALA B 389
THR B 382
THR B 355
 None
 0.95A 3bpxA-3m2rB:
undetectable
3bpxB-3m2rB:
undetectable		 3bpxA-3m2rB:
15.16
3bpxB-3m2rB:
15.16
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.
3n8u IMELYSIN PEPTIDASE

(Bacteroides
ovatus) 		PF09375
(Peptidase_M75) 		4 ALA A 217
CYH A 221
THR A 149
ILE A 152
 None
 0.80A 3bpxA-3n8uA:
1.0
3bpxB-3n8uA:
0.7		 3bpxA-3n8uA:
16.16
3bpxB-3n8uA:
16.16
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.
3oc5 TOXIN COREGULATED
PILUS BIOSYNTHESIS
PROTEIN F

(Vibrio cholerae) 		PF06340
(TcpF) 		4 SER A 310
ALA A 209
PHE A 231
THR A 273
 None
 0.97A 3bpxA-3oc5A:
undetectable
3bpxB-3oc5A:
undetectable		 3bpxA-3oc5A:
17.01
3bpxB-3oc5A:
17.01
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.
3ojc PUTATIVE
ASPARTATE/GLUTAMATE
RACEMASE

(Yersinia pestis) 		PF01177
(Asp_Glu_race) 		4 SER A  12
CYH A 198
ILE A 162
THR A 126
 None
CA  A 232 (-3.7A)
None
CA  A 232 (-3.6A)
 0.95A 3bpxA-3ojcA:
undetectable
3bpxB-3ojcA:
undetectable		 3bpxA-3ojcA:
22.47
3bpxB-3ojcA:
22.47
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		4 ALA A  79
THR A  88
ILE A 105
THR A  83
 FMN  A 500 ( 4.5A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.1A)
None
 0.97A 3bpxA-3p7nA:
undetectable
3bpxB-3p7nA:
4.7		 3bpxA-3p7nA:
19.92
3bpxB-3p7nA:
19.92
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.
3qhp TYPE 1 CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
J (CAPJ)

(Helicobacter
pylori) 		PF00534
(Glycos_transf_1) 		4 SER A 354
CYH A 291
PHE A 314
ILE A 303
 None
 0.72A 3bpxA-3qhpA:
undetectable
3bpxB-3qhpA:
undetectable		 3bpxA-3qhpA:
24.28
3bpxB-3qhpA:
24.28
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		5 CYH A 869
PHE A 958
THR A 965
ILE A 966
THR A 832
 None
 1.44A 3bpxA-3tsyA:
undetectable
3bpxB-3tsyA:
undetectable		 3bpxA-3tsyA:
9.48
3bpxB-3tsyA:
9.48
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.
3uzb BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Deinococcus
radiodurans) 		PF01063
(Aminotran_4) 		4 ALA A 223
THR A 309
ILE A 311
THR A 183
 None
 0.93A 3bpxA-3uzbA:
undetectable
3bpxB-3uzbA:
undetectable		 3bpxA-3uzbA:
18.36
3bpxB-3uzbA:
18.36
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.
3w1h L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		4 ALA A 414
THR A 441
ILE A 442
THR A 445
 None
 0.95A 3bpxA-3w1hA:
undetectable
3bpxB-3w1hA:
undetectable		 3bpxA-3w1hA:
15.56
3bpxB-3w1hA:
15.56
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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		4 ALA A 414
THR A 441
ILE A 442
THR A 445
 None
 0.86A 3bpxA-3w1jA:
undetectable
3bpxB-3w1jA:
undetectable		 3bpxA-3w1jA:
16.15
3bpxB-3w1jA:
16.15
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.
3wyw GLUTATHIONE
S-TRANSFERASE

(Nilaparvata
lugens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 SER A  67
ARG A  68
ALA A  12
THR A 167
 GSH  A 301 (-2.6A)
GSH  A 301 (-3.7A)
None
None
 0.92A 3bpxA-3wywA:
undetectable
3bpxB-3wywA:
1.7		 3bpxA-3wywA:
20.19
3bpxB-3wywA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2
INTERLEUKIN
ENHANCER-BINDING
FACTOR 3

(Mus musculus) 		PF07528
(DZF) 		4 SER B 289
ALA A  40
CYH A  37
THR B 261
 None
 0.86A 3bpxA-4atbB:
undetectable
3bpxB-4atbB:
undetectable		 3bpxA-4atbB:
16.32
3bpxB-4atbB:
16.32
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.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		4 SER A 466
CYH A 232
PHE A 470
THR A 236
 None
 0.96A 3bpxA-4bocA:
2.6
3bpxB-4bocA:
3.1		 3bpxA-4bocA:
8.72
3bpxB-4bocA:
8.72
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 SER A 625
ARG A 533
ALA A 571
ILE A 540
 None
 0.91A 3bpxA-4bp8A:
undetectable
3bpxB-4bp8A:
undetectable		 3bpxA-4bp8A:
11.08
3bpxB-4bp8A:
11.08
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		4 SER A  61
ALA A 114
ILE A  16
THR A 117
 None
 0.97A 3bpxA-4bqiA:
undetectable
3bpxB-4bqiA:
undetectable		 3bpxA-4bqiA:
9.89
3bpxB-4bqiA:
9.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bvt CYANURIC ACID
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF09663
(Amido_AtzD_TrzD) 		4 SER A 230
ALA A 296
ILE A 331
THR A 327
 None
 0.88A 3bpxA-4bvtA:
undetectable
3bpxB-4bvtA:
undetectable		 3bpxA-4bvtA:
18.58
3bpxB-4bvtA:
18.58
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 SER A  90
PHE A  92
ILE A 200
THR A 203
 None
 0.98A 3bpxA-4c30A:
undetectable
3bpxB-4c30A:
undetectable		 3bpxA-4c30A:
14.76
3bpxB-4c30A:
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.
4e8e GLUTATHIONE
S-TRANSFERASE

(Bombyx mori) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 PHE A 104
THR A 163
ILE A 164
THR A 167
 None
 0.87A 3bpxA-4e8eA:
undetectable
3bpxB-4e8eA:
1.2		 3bpxA-4e8eA:
21.68
3bpxB-4e8eA:
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 SER A 102
PHE A 775
THR A1025
ILE A1026
 None
 0.92A 3bpxA-4f4cA:
undetectable
3bpxB-4f4cA:
undetectable		 3bpxA-4f4cA:
8.71
3bpxB-4f4cA:
8.71
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.
4fio METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanobrevibacter
ruminantium) 		PF02289
(MCH) 		4 SER A 317
ALA A 224
ILE A 182
THR A 173
 None
None
IPA  A 402 (-4.6A)
None
 0.90A 3bpxA-4fioA:
undetectable
3bpxB-4fioA:
undetectable		 3bpxA-4fioA:
17.80
3bpxB-4fioA:
17.80
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		4 SER A  53
THR A 200
ILE A 203
THR A 202
 None
 0.94A 3bpxA-4g09A:
undetectable
3bpxB-4g09A:
undetectable		 3bpxA-4g09A:
15.94
3bpxB-4g09A:
15.94
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.
4gw9 BACTERIOPHYTOCHROME

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF00989
(PAS)
PF01590
(GAF)
PF08446
(PAS_2) 		4 PHE A 324
THR A 493
ILE A 494
THR A 497
 None
 0.98A 3bpxA-4gw9A:
0.8
3bpxB-4gw9A:
undetectable		 3bpxA-4gw9A:
14.86
3bpxB-4gw9A:
14.86
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.
4jig DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 ARG A 191
ALA A 245
THR A 173
ILE A 174
 None
 0.87A 3bpxA-4jigA:
undetectable
3bpxB-4jigA:
undetectable		 3bpxA-4jigA:
19.39
3bpxB-4jigA:
19.39
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		4 SER A  62
ALA A 186
THR A 154
THR A 100
 None
 0.93A 3bpxA-4l0mA:
undetectable
3bpxB-4l0mA:
undetectable		 3bpxA-4l0mA:
17.31
3bpxB-4l0mA:
17.31
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.
4m87 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Neisseria
meningitidis) 		PF13561
(adh_short_C2) 		4 SER A 238
ALA A 230
CYH A  28
ILE A   9
 None
 0.89A 3bpxA-4m87A:
undetectable
3bpxB-4m87A:
undetectable		 3bpxA-4m87A:
19.08
3bpxB-4m87A:
19.08
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.
4mki ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2

(Caldanaerobacter
subterraneus) 		no annotation 4 ARG B 229
ALA B 208
THR B 249
ILE B 248
 None
 0.81A 3bpxA-4mkiB:
undetectable
3bpxB-4mkiB:
undetectable		 3bpxA-4mkiB:
20.75
3bpxB-4mkiB:
20.75
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.
4nxy ACYL-COA SYNTHETASE

(Streptomyces
lividans) 		PF00583
(Acetyltransf_1) 		4 ALA A  46
THR A  42
ILE A  41
THR A  81
 None
 0.83A 3bpxA-4nxyA:
undetectable
3bpxB-4nxyA:
undetectable		 3bpxA-4nxyA:
19.31
3bpxB-4nxyA:
19.31
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.
4oxx CINDOXIN

(Citrobacter
braakii) 		PF00258
(Flavodoxin_1) 		4 ALA A 134
PHE A  90
ILE A  21
THR A  20
 None
 0.89A 3bpxA-4oxxA:
undetectable
3bpxB-4oxxA:
undetectable		 3bpxA-4oxxA:
19.14
3bpxB-4oxxA:
19.14
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
kefiri) 		PF13561
(adh_short_C2) 		4 ALA A 171
CYH A 174
THR A 122
ILE A 126
 None
 0.94A 3bpxA-4rf3A:
undetectable
3bpxB-4rf3A:
undetectable		 3bpxA-4rf3A:
22.27
3bpxB-4rf3A:
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.
4rlv ANKYRIN-1, ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		4 ALA A2294
THR A2262
ILE A2267
THR A2268
 None
 0.93A 3bpxA-4rlvA:
undetectable
3bpxB-4rlvA:
undetectable		 3bpxA-4rlvA:
9.47
3bpxB-4rlvA:
9.47
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 SER C 249
ALA C 419
PHE C 160
ILE C 136
 None
 0.96A 3bpxA-4z42C:
undetectable
3bpxB-4z42C:
undetectable		 3bpxA-4z42C:
13.95
3bpxB-4z42C:
13.95
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 SER B 215
ALA B 389
THR B 382
THR B 355
 None
 0.91A 3bpxA-5a8rB:
undetectable
3bpxB-5a8rB:
undetectable		 3bpxA-5a8rB:
15.12
3bpxB-5a8rB:
15.12
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.
5bp8 ENT-COPALYL
DIPHOSPHATE SYNTHASE

(Streptomyces
platensis) 		PF00432
(Prenyltrans)
PF13243
(SQHop_cyclase_C) 		4 ARG A 339
PHE A 337
ILE A 360
THR A 356
 None
 0.87A 3bpxA-5bp8A:
undetectable
3bpxB-5bp8A:
undetectable		 3bpxA-5bp8A:
15.20
3bpxB-5bp8A:
15.20
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 4 ALA B 545
CYH B 549
ILE B 740
THR B 588
 None
 0.73A 3bpxA-5efnB:
undetectable
3bpxB-5efnB:
undetectable		 3bpxA-5efnB:
16.90
3bpxB-5efnB:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 4 SER C 125
ALA C 179
THR C 429
THR C 427
 None
 0.95A 3bpxA-5elpC:
undetectable
3bpxB-5elpC:
undetectable		 3bpxA-5elpC:
14.98
3bpxB-5elpC:
14.98
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 ALA A 545
CYH A 549
ILE A 740
THR A 588
 None
 0.68A 3bpxA-5g0hA:
undetectable
3bpxB-5g0hA:
undetectable		 3bpxA-5g0hA:
10.70
3bpxB-5g0hA:
10.70
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 CYH A 457
PHE A 260
THR A  81
ILE A 252
 None
 0.96A 3bpxA-5gn5A:
1.5
3bpxB-5gn5A:
undetectable		 3bpxA-5gn5A:
15.69
3bpxB-5gn5A:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 4 ALA G  74
THR G 177
ILE G 176
THR G 179
 None
 0.62A 3bpxA-5h0rG:
undetectable
3bpxB-5h0rG:
undetectable		 3bpxA-5h0rG:
12.66
3bpxB-5h0rG:
12.66
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.
5ikk HISTONE DEACETYLASE
CLR3

(Schizosaccharomyces
pombe) 		PF00850
(Hist_deacetyl)
PF09757
(Arb2) 		4 ALA A 170
CYH A 174
ILE A 321
THR A 213
 None
 0.87A 3bpxA-5ikkA:
undetectable
3bpxB-5ikkA:
undetectable		 3bpxA-5ikkA:
11.94
3bpxB-5ikkA:
11.94
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 SER A 251
THR A 525
ILE A 526
THR A 529
 None
 0.92A 3bpxA-5lewA:
undetectable
3bpxB-5lewA:
undetectable		 3bpxA-5lewA:
10.98
3bpxB-5lewA:
10.98
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.
5ltg AUTOPHAGY-RELATED
PROTEIN 18

(Ogataea angusta) 		no annotation 4 ALA A 447
PHE A 501
THR A 453
THR A 451
 None
 0.82A 3bpxA-5ltgA:
undetectable
3bpxB-5ltgA:
undetectable		 3bpxA-5ltgA:
14.53
3bpxB-5ltgA:
14.53
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 SER B 284
ALA B  18
THR B 244
ILE B 248
 None
 0.86A 3bpxA-5m45B:
0.7
3bpxB-5m45B:
undetectable		 3bpxA-5m45B:
12.86
3bpxB-5m45B:
12.86
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.
5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1

(Homo sapiens) 		PF00375
(SDF) 		4 ALA A 339
THR A 352
ILE A 351
THR A 348
 None
 0.81A 3bpxA-5mjuA:
0.9
3bpxB-5mjuA:
0.7		 3bpxA-5mjuA:
14.79
3bpxB-5mjuA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mln ALCOHOL
DEHYDROGENASE 3

([Candida]
magnoliae) 		no annotation 4 SER A 144
ALA A  93
THR A 195
ILE A 198
 NAP  A 301 (-3.5A)
None
NAP  A 301 (-3.8A)
None
 0.98A 3bpxA-5mlnA:
undetectable
3bpxB-5mlnA:
undetectable		 3bpxA-5mlnA:
22.79
3bpxB-5mlnA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		4 ALA A 222
THR A 549
ILE A 552
THR A 530
 FAD  A 700 (-4.8A)
None
None
None
 0.82A 3bpxA-5mq6A:
undetectable
3bpxB-5mq6A:
undetectable		 3bpxA-5mq6A:
12.83
3bpxB-5mq6A:
12.83
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 ALA A 784
THR A 487
ILE A 468
THR A 470
 None
 0.89A 3bpxA-5mtzA:
undetectable
3bpxB-5mtzA:
undetectable		 3bpxA-5mtzA:
10.81
3bpxB-5mtzA:
10.81
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.
5t4y SUSC HOMOLOG

(Bacteroides
thetaiotaomicron) 		no annotation 4 SER D1001
ALA D 381
THR D 300
ILE D 334
 None
 0.83A 3bpxA-5t4yD:
undetectable
3bpxB-5t4yD:
undetectable		 3bpxA-5t4yD:
9.66
3bpxB-5t4yD:
9.66
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 SER A1660
ALA A1753
PHE A1642
ILE A1644
 None
 0.94A 3bpxA-5t8vA:
undetectable
3bpxB-5t8vA:
undetectable		 3bpxA-5t8vA:
7.52
3bpxB-5t8vA:
7.52
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.
5tpr 3-DEHYDROQUINATE
SYNTHASE

(Trichormus
variabilis) 		PF01761
(DHQ_synthase) 		4 ALA A 354
THR A 341
ILE A 344
THR A 272
 None
 0.92A 3bpxA-5tprA:
undetectable
3bpxB-5tprA:
undetectable		 3bpxA-5tprA:
14.65
3bpxB-5tprA:
14.65
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.
5udb MINICHROMOSOME
MAINTENANCE PROTEIN
5

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 SER 5 515
ALA 5 468
ILE 5 479
THR 5 439
 None
 0.96A 3bpxA-5udb5:
undetectable
3bpxB-5udb5:
undetectable		 3bpxA-5udb5:
11.96
3bpxB-5udb5:
11.96
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 SER A 663
ALA A 569
THR A 544
THR A 547
 None
 0.84A 3bpxA-5wugA:
undetectable
3bpxB-5wugA:
undetectable		 3bpxA-5wugA:
16.44
3bpxB-5wugA:
16.44
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.
5x4l TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Homo sapiens) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 SER A  37
CYH A 174
ILE A 114
THR A 180
 None
 0.97A 3bpxA-5x4lA:
undetectable
3bpxB-5x4lA:
undetectable		 3bpxA-5x4lA:
21.47
3bpxB-5x4lA:
21.47
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.
5znn SORTILIN

(Mus musculus) 		no annotation 4 ALA A 462
THR A 414
ILE A 413
THR A 403
 None
 0.98A 3bpxA-5znnA:
undetectable
3bpxB-5znnA:
undetectable		 3bpxA-5znnA:
undetectable
3bpxB-5znnA:
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.
5zwp GLUTATHIONE
S-TRANSFERASE 1

(Musca domestica) 		no annotation 4 SER A  65
ARG A  66
ALA A  10
THR A 165
 GSH  A 301 (-2.6A)
GSH  A 301 (-3.4A)
None
None
 0.93A 3bpxA-5zwpA:
undetectable
3bpxB-5zwpA:
undetectable		 3bpxA-5zwpA:
22.22
3bpxB-5zwpA:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 4 SER A 166
ALA A 156
CYH A 182
THR A 129
 None
 0.72A 3bpxA-6c62A:
undetectable
3bpxB-6c62A:
undetectable		 3bpxA-6c62A:
22.06
3bpxB-6c62A:
22.06