SIMILAR PATTERNS OF AMINO ACIDS FOR 4DR2_A_PARA1609_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ae3 GENE V PROTEIN

(Escherichia
coli) 		PF02303
(Phage_DNA_bind) 		3 TYR A  26
ARG A  16
SER A  17
 None
 1.13A 4dr2I-1ae3A:
0.0
4dr2J-1ae3A:
0.0		 4dr2I-1ae3A:
21.95
4dr2J-1ae3A:
17.76
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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		3 TYR A 205
ARG A 181
SER A 180
 None
 1.17A 4dr2I-1bf6A:
0.0
4dr2J-1bf6A:
0.0		 4dr2I-1bf6A:
18.21
4dr2J-1bf6A:
15.24
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.
1cot CYTOCHROME C2

(Paracoccus
denitrificans) 		no annotation 3 TYR A  55
ARG A  45
SER A  49
 HEM  A 130 (-4.5A)
HEM  A 130 (-4.0A)
None
 0.89A 4dr2I-1cotA:
undetectable
4dr2J-1cotA:
undetectable		 4dr2I-1cotA:
23.61
4dr2J-1cotA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dvp HEPATOCYTE GROWTH
FACTOR-REGULATED
TYROSINE KINASE
SUBSTRATE

(Drosophila
melanogaster) 		PF00790
(VHS)
PF01363
(FYVE) 		3 TYR A  61
ARG A  18
SER A  15
 None
 1.11A 4dr2I-1dvpA:
0.0
4dr2J-1dvpA:
undetectable		 4dr2I-1dvpA:
19.64
4dr2J-1dvpA:
20.27
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.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 TYR A  72
ARG A  67
SER A 424
 None
 0.93A 4dr2I-1f82A:
0.3
4dr2J-1f82A:
undetectable		 4dr2I-1f82A:
14.11
4dr2J-1f82A:
13.59
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.
1fi4 MEVALONATE
5-DIPHOSPHATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N) 		3 TYR A 136
ARG A  83
SER A 100
 None
 1.11A 4dr2I-1fi4A:
3.8
4dr2J-1fi4A:
1.6		 4dr2I-1fi4A:
14.66
4dr2J-1fi4A:
12.98
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.
1izo CYTOCHROME P450
152A1

(Bacillus
subtilis) 		PF00067
(p450) 		3 TYR A 249
ARG A 399
SER A 402
 None
 0.90A 4dr2I-1izoA:
0.0
4dr2J-1izoA:
undetectable		 4dr2I-1izoA:
17.22
4dr2J-1izoA:
14.25
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.
1je5 HELIX-DESTABILIZING
PROTEIN

(Escherichia
virus T7) 		no annotation 3 TYR A 153
ARG A  50
SER A   8
 None
 1.16A 4dr2I-1je5A:
0.0
4dr2J-1je5A:
0.0		 4dr2I-1je5A:
21.82
4dr2J-1je5A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 TYR B 237
ARG B 561
SER B 236
 None
 1.10A 4dr2I-1m2vB:
0.0
4dr2J-1m2vB:
undetectable		 4dr2I-1m2vB:
8.86
4dr2J-1m2vB:
6.02
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.
1mey CONSENSUS ZINC
FINGER

(-) 		PF13465
(zf-H2C2_2) 		3 TYR C  33
ARG C  25
SER C  43
 None
 1.10A 4dr2I-1meyC:
undetectable
4dr2J-1meyC:
undetectable		 4dr2I-1meyC:
20.16
4dr2J-1meyC:
17.59
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.
1mey CONSENSUS ZINC
FINGER

(-) 		PF13465
(zf-H2C2_2) 		3 TYR C  61
ARG C  53
SER C  71
 None
 1.08A 4dr2I-1meyC:
undetectable
4dr2J-1meyC:
undetectable		 4dr2I-1meyC:
20.16
4dr2J-1meyC:
17.59
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		3 TYR A 102
ARG A  64
SER A  99
 None
 0.92A 4dr2I-1nylA:
undetectable
4dr2J-1nylA:
undetectable		 4dr2I-1nylA:
13.13
4dr2J-1nylA:
11.67
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.
1oki BETA CRYSTALLIN B1

(Homo sapiens) 		PF00030
(Crystall) 		3 TYR A 197
ARG A 131
SER A 129
 None
 1.18A 4dr2I-1okiA:
undetectable
4dr2J-1okiA:
undetectable		 4dr2I-1okiA:
22.64
4dr2J-1okiA:
23.75
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.
1ow0 IMMUNOGLOBULIN ALPHA
FC RECEPTOR

(Homo sapiens) 		no annotation 3 TYR C 173
ARG C 171
SER C 187
 None
 1.09A 4dr2I-1ow0C:
undetectable
4dr2J-1ow0C:
undetectable		 4dr2I-1ow0C:
18.98
4dr2J-1ow0C:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oyv WOUND-INDUCED
PROTEINASE
INHIBITOR-II

(Solanum
lycopersicum) 		PF02428
(Prot_inhib_II) 		3 TYR I  40
ARG I  72
SER I  71
 None
 1.04A 4dr2I-1oyvI:
undetectable
4dr2J-1oyvI:
undetectable		 4dr2I-1oyvI:
21.43
4dr2J-1oyvI:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 TYR A 237
ARG A 561
SER A 236
 None
None
ZN  A 950 ( 4.9A)
 1.03A 4dr2I-1pd1A:
undetectable
4dr2J-1pd1A:
undetectable		 4dr2I-1pd1A:
10.00
4dr2J-1pd1A:
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.
1qpv YEAST COFILIN

(Saccharomyces
cerevisiae) 		PF00241
(Cofilin_ADF) 		3 TYR A  71
ARG A  80
SER A  81
 None
 1.14A 4dr2I-1qpvA:
undetectable
4dr2J-1qpvA:
undetectable		 4dr2I-1qpvA:
23.53
4dr2J-1qpvA:
18.59
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		3 TYR A 436
ARG A 415
SER A 347
 None
 0.70A 4dr2I-1r6vA:
undetectable
4dr2J-1r6vA:
3.7		 4dr2I-1r6vA:
11.24
4dr2J-1r6vA:
10.90
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.
1t0b THUA-LIKE PROTEIN

(Geobacillus
stearothermophilus) 		PF06283
(ThuA) 		3 TYR A 194
ARG A 196
SER A 181
 None
 1.08A 4dr2I-1t0bA:
undetectable
4dr2J-1t0bA:
undetectable		 4dr2I-1t0bA:
18.55
4dr2J-1t0bA:
19.05
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.
1t35 HYPOTHETICAL PROTEIN
YVDD, PUTATIVE
LYSINE DECARBOXYLASE

(Bacillus
subtilis) 		PF03641
(Lysine_decarbox) 		3 TYR A  38
ARG A  42
SER A  41
 None
 1.09A 4dr2I-1t35A:
undetectable
4dr2J-1t35A:
undetectable		 4dr2I-1t35A:
17.80
4dr2J-1t35A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		3 TYR A 226
ARG A 307
SER A 223
 None
 1.14A 4dr2I-1v02A:
undetectable
4dr2J-1v02A:
undetectable		 4dr2I-1v02A:
12.66
4dr2J-1v02A:
11.95
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.
1whw HYPOTHETICAL PROTEIN
RIKEN CDNA
1200009A02

(Mus musculus) 		PF00076
(RRM_1) 		3 TYR A  47
ARG A 107
SER A  46
 None
 0.99A 4dr2I-1whwA:
undetectable
4dr2J-1whwA:
2.7		 4dr2I-1whwA:
22.22
4dr2J-1whwA:
16.51
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.
1y9g EXO-INULINASE

(Aspergillus
awamori) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 TYR A 385
ARG A 387
SER A 386
 None
 1.07A 4dr2I-1y9gA:
undetectable
4dr2J-1y9gA:
undetectable		 4dr2I-1y9gA:
13.93
4dr2J-1y9gA:
11.72
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.
2a4c CADHERIN-11

(Mus musculus) 		PF00028
(Cadherin) 		3 TYR A  37
ARG A  23
SER A  54
 None
 1.13A 4dr2I-2a4cA:
undetectable
4dr2J-2a4cA:
undetectable		 4dr2I-2a4cA:
21.43
4dr2J-2a4cA:
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		3 TYR A 128
ARG A  27
SER A 126
 None
 0.96A 4dr2I-2a5hA:
undetectable
4dr2J-2a5hA:
undetectable		 4dr2I-2a5hA:
16.26
4dr2J-2a5hA:
13.20
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.
2ca4 SULFITE:CYTOCHROME C
OXIDOREDUCTASE
SUBUNIT A

(Starkeya
novella) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		3 TYR A 186
ARG A 132
SER A 187
 None
 1.05A 4dr2I-2ca4A:
undetectable
4dr2J-2ca4A:
undetectable		 4dr2I-2ca4A:
16.80
4dr2J-2ca4A:
17.34
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.
2ddx BETA-1,3-XYLANASE

(Vibrio sp. AX-4) 		no annotation 3 TYR A 225
ARG A 217
SER A 226
 None
 1.05A 4dr2I-2ddxA:
undetectable
4dr2J-2ddxA:
undetectable		 4dr2I-2ddxA:
17.58
4dr2J-2ddxA:
14.72
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.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		3 TYR A 123
ARG A 132
SER A 166
 None
 1.10A 4dr2I-2detA:
undetectable
4dr2J-2detA:
undetectable		 4dr2I-2detA:
15.18
4dr2J-2detA:
14.67
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.
2dl2 PROTEIN (MHC CLASS I
NK CELL RECEPTOR
PRECURSOR (P58
NATURAL KILLER CELL
RECEPTOR CLONE
CL-43))

(Homo sapiens) 		PF00047
(ig) 		3 TYR A  80
ARG A  78
SER A  94
 None
 0.94A 4dr2I-2dl2A:
undetectable
4dr2J-2dl2A:
undetectable		 4dr2I-2dl2A:
19.40
4dr2J-2dl2A:
19.55
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.
2fiq PUTATIVE TAGATOSE
6-PHOSPHATE KINASE 1

(Escherichia
coli) 		PF08013
(Tagatose_6_P_K) 		3 TYR A 166
ARG A 215
SER A 165
 None
 1.01A 4dr2I-2fiqA:
undetectable
4dr2J-2fiqA:
undetectable		 4dr2I-2fiqA:
17.54
4dr2J-2fiqA:
14.22
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.
2g7g RHA04620, PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF02909
(TetR_C) 		3 TYR A 115
ARG A  59
SER A 111
 None
 1.06A 4dr2I-2g7gA:
undetectable
4dr2J-2g7gA:
undetectable		 4dr2I-2g7gA:
21.33
4dr2J-2g7gA:
17.29
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.
2hiv THERMOSTABLE DNA
LIGASE

(Sulfolobus
solfataricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		3 TYR A 472
ARG A 512
SER A 478
 None
 1.04A 4dr2I-2hivA:
undetectable
4dr2J-2hivA:
undetectable		 4dr2I-2hivA:
12.54
4dr2J-2hivA:
11.11
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.
2kdy FACTOR H BINDING
PROTEIN VARIANT
B01_001

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		3 TYR A 105
ARG A  81
SER A  80
 None
 1.10A 4dr2I-2kdyA:
undetectable
4dr2J-2kdyA:
undetectable		 4dr2I-2kdyA:
20.00
4dr2J-2kdyA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2km8 MRNA
3'-END-PROCESSING
PROTEIN RNA15

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		3 TYR B  69
ARG B  95
SER B  32
 A  A   9 ( 2.9A)
A  A   8 ( 3.2A)
None
 0.66A 4dr2I-2km8B:
undetectable
4dr2J-2km8B:
3.6		 4dr2I-2km8B:
19.23
4dr2J-2km8B:
21.43
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.
2llz UNCHARACTERIZED
PROTEIN YJDK

(Escherichia
coli) 		PF11080
(GhoS) 		3 TYR A  34
ARG A  30
SER A  31
 None
 0.76A 4dr2I-2llzA:
undetectable
4dr2J-2llzA:
2.8		 4dr2I-2llzA:
23.31
4dr2J-2llzA:
23.48
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		3 TYR A 282
ARG A 331
SER A 336
 TYR  A 282 ( 1.3A)
ARG  A 331 ( 0.6A)
SER  A 336 ( 0.0A)
 1.07A 4dr2I-2nvvA:
undetectable
4dr2J-2nvvA:
undetectable		 4dr2I-2nvvA:
14.83
4dr2J-2nvvA:
13.09
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.
2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Paraburkholderia
phytofirmans) 		PF13407
(Peripla_BP_4) 		3 TYR A  55
ARG A  48
SER A  49
 SO4  A 370 ( 4.2A)
GAL  A 368 ( 3.0A)
SO4  A 370 (-3.1A)
 1.11A 4dr2I-2rjoA:
1.3
4dr2J-2rjoA:
undetectable		 4dr2I-2rjoA:
18.35
4dr2J-2rjoA:
15.43
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.
2v6e PROTELEMORASE

(Klebsiella
phage phiKO2) 		PF16684
(Telomere_res) 		3 TYR A 386
ARG A 274
SER A 272
 None
 0.96A 4dr2I-2v6eA:
undetectable
4dr2J-2v6eA:
undetectable		 4dr2I-2v6eA:
11.90
4dr2J-2v6eA:
11.83
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.
2y0n MALE-SPECIFIC LETHAL
3 HOMOLOG

(Homo sapiens) 		PF05712
(MRG) 		3 TYR A 449
ARG A 262
SER A 448
 None
 1.17A 4dr2I-2y0nA:
undetectable
4dr2J-2y0nA:
undetectable		 4dr2I-2y0nA:
20.56
4dr2J-2y0nA:
14.62
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.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		3 TYR A 254
ARG A 212
SER A 250
 None
 1.14A 4dr2I-2z6hA:
undetectable
4dr2J-2z6hA:
undetectable		 4dr2I-2z6hA:
11.03
4dr2J-2z6hA:
10.39
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TYR A 455
ARG A 450
SER A 454
 GLD  A 807 (-3.7A)
GLC  A 805 (-3.1A)
None
 0.95A 4dr2I-3bc9A:
undetectable
4dr2J-3bc9A:
undetectable		 4dr2I-3bc9A:
12.79
4dr2J-3bc9A:
9.11
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.
3bew MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I
GLYCOPROTEIN
HAPLOTYPE B21

(Gallus gallus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TYR A  36
ARG A  41
SER A  38
 None
 1.15A 4dr2I-3bewA:
undetectable
4dr2J-3bewA:
undetectable		 4dr2I-3bewA:
21.76
4dr2J-3bewA:
17.34
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.
3byv RHOPTRY KINASE

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		3 TYR A 422
ARG A 457
SER A 456
 None
 1.13A 4dr2I-3byvA:
undetectable
4dr2J-3byvA:
undetectable		 4dr2I-3byvA:
18.23
4dr2J-3byvA:
16.52
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 TYR A 462
ARG A 484
SER A 485
 None
 1.12A 4dr2I-3ddrA:
undetectable
4dr2J-3ddrA:
undetectable		 4dr2I-3ddrA:
10.22
4dr2J-3ddrA:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3doh ESTERASE

(Thermotoga
maritima) 		PF02230
(Abhydrolase_2) 		3 TYR A 281
ARG A 279
SER A 394
 None
 1.17A 4dr2I-3dohA:
undetectable
4dr2J-3dohA:
undetectable		 4dr2I-3dohA:
15.00
4dr2J-3dohA:
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.
3e9l PRE-MRNA-PROCESSING-
SPLICING FACTOR 8

(Homo sapiens) 		PF12134
(PRP8_domainIV) 		3 TYR A1768
ARG A2008
SER A1765
 None
 0.93A 4dr2I-3e9lA:
undetectable
4dr2J-3e9lA:
undetectable		 4dr2I-3e9lA:
22.71
4dr2J-3e9lA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		3 TYR A 264
ARG A 222
SER A 265
 None
 0.96A 4dr2I-3lggA:
undetectable
4dr2J-3lggA:
undetectable		 4dr2I-3lggA:
14.14
4dr2J-3lggA:
13.92
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.
3p1z PUTATIVE
UNCHARACTERIZED
PROTEIN
TRNA-SPLICING
ENDONUCLEASE

(Aeropyrum
pernix) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		3 TYR B 178
ARG A 167
SER B 177
 None
 1.18A 4dr2I-3p1zB:
undetectable
4dr2J-3p1zB:
undetectable		 4dr2I-3p1zB:
23.04
4dr2J-3p1zB:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 TYR A 485
ARG A 433
SER A 484
 None
 0.84A 4dr2I-3pigA:
undetectable
4dr2J-3pigA:
undetectable		 4dr2I-3pigA:
12.95
4dr2J-3pigA:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		3 TYR A 638
ARG A 367
SER A 598
 None
 0.84A 4dr2I-3ucqA:
undetectable
4dr2J-3ucqA:
1.0		 4dr2I-3ucqA:
12.30
4dr2J-3ucqA:
8.78
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		3 TYR A 110
ARG A  96
SER A 109
 None
 1.05A 4dr2I-3w3eA:
undetectable
4dr2J-3w3eA:
0.4		 4dr2I-3w3eA:
20.18
4dr2J-3w3eA:
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.
3w5k ZINC FINGER PROTEIN
SNAI1

(Homo sapiens) 		PF00096
(zf-C2H2)
PF13912
(zf-C2H2_6) 		3 TYR B 236
ARG B 247
SER B 246
 None
 1.12A 4dr2I-3w5kB:
undetectable
4dr2J-3w5kB:
undetectable		 4dr2I-3w5kB:
17.95
4dr2J-3w5kB:
16.67
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		3 TYR A 635
ARG A 359
SER A 595
 None
 1.03A 4dr2I-4aysA:
undetectable
4dr2J-4aysA:
0.6		 4dr2I-4aysA:
12.26
4dr2J-4aysA:
9.78
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.
4b6z FAMILY M14
UNASSIGNED PEPTIDASE

(Burkholderia
cenocepacia) 		PF00246
(Peptidase_M14) 		3 TYR A  72
ARG A  85
SER A  73
 None
 1.02A 4dr2I-4b6zA:
undetectable
4dr2J-4b6zA:
undetectable		 4dr2I-4b6zA:
15.72
4dr2J-4b6zA:
13.77
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		3 TYR A 678
ARG A 693
SER A 692
 None
 1.15A 4dr2I-4c51A:
undetectable
4dr2J-4c51A:
undetectable		 4dr2I-4c51A:
10.95
4dr2J-4c51A:
9.19
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.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		3 TYR A 292
ARG A 341
SER A 346
 None
 1.13A 4dr2I-4eudA:
undetectable
4dr2J-4eudA:
undetectable		 4dr2I-4eudA:
14.00
4dr2J-4eudA:
12.73
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.
4fz2 TRNA INTRON
ENDONUCLEASE

(Candidatus
Micrarchaeum
acidiphilum) 		PF01974
(tRNA_int_endo) 		3 TYR A 304
ARG A 102
SER A 318
 None
 1.15A 4dr2I-4fz2A:
undetectable
4dr2J-4fz2A:
undetectable		 4dr2I-4fz2A:
16.46
4dr2J-4fz2A:
12.41
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.
4gzu FERM, RHOGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		3 TYR A 787
ARG A 801
SER A 789
 None
 1.17A 4dr2I-4gzuA:
undetectable
4dr2J-4gzuA:
undetectable		 4dr2I-4gzuA:
13.06
4dr2J-4gzuA:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h3s GLUTAMINE-TRNA
LIGASE

(Saccharomyces
cerevisiae) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2) 		3 TYR A 326
ARG A 289
SER A 323
 None
 0.94A 4dr2I-4h3sA:
undetectable
4dr2J-4h3sA:
undetectable		 4dr2I-4h3sA:
10.26
4dr2J-4h3sA:
8.61
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.
4h6j ARYL HYDROCARBON
NUCLEAR TRANSLOCATOR

(Homo sapiens) 		PF14598
(PAS_11) 		3 TYR B 386
ARG B 430
SER B 431
 None
 1.17A 4dr2I-4h6jB:
undetectable
4dr2J-4h6jB:
undetectable		 4dr2I-4h6jB:
16.92
4dr2J-4h6jB:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ht1 CHIMERIC ANTIBODY
FAB

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TYR L  93
ARG L  96
SER L  95
 None
 1.15A 4dr2I-4ht1L:
undetectable
4dr2J-4ht1L:
undetectable		 4dr2I-4ht1L:
23.66
4dr2J-4ht1L:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iov CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		3 TYR A 610
ARG A 727
SER A 726
 None
 1.15A 4dr2I-4iovA:
undetectable
4dr2J-4iovA:
undetectable		 4dr2I-4iovA:
12.45
4dr2J-4iovA:
9.22
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.
4jgl HYPOTHETICAL PROTEIN

(Bacteroides
eggerthii) 		no annotation 3 TYR A  69
ARG A 167
SER A  44
 None
UNL  A 200 ( 3.9A)
None
 1.17A 4dr2I-4jglA:
undetectable
4dr2J-4jglA:
undetectable		 4dr2I-4jglA:
20.47
4dr2J-4jglA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrf PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
ovatus) 		PF15495
(Fimbrillin_C) 		3 TYR A 251
ARG A 267
SER A 252
 None
 0.95A 4dr2I-4jrfA:
undetectable
4dr2J-4jrfA:
undetectable		 4dr2I-4jrfA:
13.00
4dr2J-4jrfA:
12.92
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.
4jvs RAS-RELATED PROTEIN
RAB-1A

(Homo sapiens) 		PF00071
(Ras) 		3 TYR B  81
ARG B  74
SER B  78
 None
 1.18A 4dr2I-4jvsB:
undetectable
4dr2J-4jvsB:
undetectable		 4dr2I-4jvsB:
23.33
4dr2J-4jvsB:
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.
4nqe MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS
I-RELATED GENE
PROTEIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TYR A  36
ARG A  41
SER A  38
 None
 1.18A 4dr2I-4nqeA:
undetectable
4dr2J-4nqeA:
undetectable		 4dr2I-4nqeA:
18.18
4dr2J-4nqeA:
14.18
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.
4nzm INOSITOL
HEXAKISPHOSPHATE AND
DIPHOSPHOINOSITOL-PE
NTAKISPHOSPHATE
KINASE 2

(Homo sapiens) 		no annotation 3 TYR A 234
ARG A 156
SER A 233
 None
 1.15A 4dr2I-4nzmA:
undetectable
4dr2J-4nzmA:
undetectable		 4dr2I-4nzmA:
16.92
4dr2J-4nzmA:
17.65
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		3 TYR A 279
ARG A 303
SER A 278
 GOL  A 401 (-3.8A)
GOL  A 401 (-4.2A)
GOL  A 401 (-4.7A)
 1.11A 4dr2I-4o99A:
undetectable
4dr2J-4o99A:
undetectable		 4dr2I-4o99A:
15.56
4dr2J-4o99A:
13.04
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.
4ovy HALOACID
DEHALOGENASE DOMAIN
PROTEIN HYDROLASE

(Planctopirus
limnophila) 		PF12710
(HAD) 		3 TYR A  42
ARG A  53
SER A  45
 None
 1.17A 4dr2I-4ovyA:
undetectable
4dr2J-4ovyA:
undetectable		 4dr2I-4ovyA:
17.67
4dr2J-4ovyA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p2c SHIGA TOXIN 2E,
SUBUNIT B

(Escherichia
coli) 		PF02258
(SLT_beta) 		3 TYR B  28
ARG B  26
SER B  58
 None
 0.90A 4dr2I-4p2cB:
undetectable
4dr2J-4p2cB:
undetectable		 4dr2I-4p2cB:
21.98
4dr2J-4p2cB:
22.43
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		3 TYR A 182
ARG A 140
SER A 178
 None
 1.16A 4dr2I-4r10A:
undetectable
4dr2J-4r10A:
undetectable		 4dr2I-4r10A:
12.68
4dr2J-4r10A:
12.09
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.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 3 TYR A 204
ARG A 107
SER A 203
 SAM  A 301 (-4.5A)
SAM  A 301 (-2.7A)
None
 1.10A 4dr2I-4r29A:
undetectable
4dr2J-4r29A:
undetectable		 4dr2I-4r29A:
19.38
4dr2J-4r29A:
19.46
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		3 TYR A 221
ARG A 464
SER A 439
 None
 1.02A 4dr2I-4yjiA:
undetectable
4dr2J-4yjiA:
undetectable		 4dr2I-4yjiA:
14.20
4dr2J-4yjiA:
13.39
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		3 TYR A 705
ARG A 726
SER A 703
 None
 1.02A 4dr2I-4zgvA:
undetectable
4dr2J-4zgvA:
undetectable		 4dr2I-4zgvA:
9.79
4dr2J-4zgvA:
7.87
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		3 TYR A 814
ARG A 752
SER A 815
 None
 0.96A 4dr2I-4zgvA:
undetectable
4dr2J-4zgvA:
undetectable		 4dr2I-4zgvA:
9.79
4dr2J-4zgvA:
7.87
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		3 TYR A 419
ARG A 393
SER A 229
 None
 1.04A 4dr2I-4zxiA:
undetectable
4dr2J-4zxiA:
undetectable		 4dr2I-4zxiA:
6.68
4dr2J-4zxiA:
6.57
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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		3 TYR A  61
ARG A 122
SER A  60
 None
 0.98A 4dr2I-5cd6A:
undetectable
4dr2J-5cd6A:
undetectable		 4dr2I-5cd6A:
12.48
4dr2J-5cd6A:
10.76
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.
5e24 SUPPRESSOR OF
HAIRLESS PROTEIN

(Drosophila
melanogaster) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		3 TYR E 134
ARG E 139
SER E 133
 None
 1.17A 4dr2I-5e24E:
undetectable
4dr2J-5e24E:
undetectable		 4dr2I-5e24E:
17.22
4dr2J-5e24E:
13.02
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.
5e24 SUPPRESSOR OF
HAIRLESS PROTEIN

(Drosophila
melanogaster) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		3 TYR E 518
ARG E 486
SER E 483
 None
 1.14A 4dr2I-5e24E:
undetectable
4dr2J-5e24E:
undetectable		 4dr2I-5e24E:
17.22
4dr2J-5e24E:
13.02
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.
5f06 GLUTATHIONE
S-TRANSFERASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 TYR A  83
ARG A  87
SER A 164
 None
 1.17A 4dr2I-5f06A:
undetectable
4dr2J-5f06A:
undetectable		 4dr2I-5f06A:
24.09
4dr2J-5f06A:
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 TYR A 478
ARG A 108
SER A 381
 None
 1.12A 4dr2I-5fr8A:
undetectable
4dr2J-5fr8A:
undetectable		 4dr2I-5fr8A:
11.60
4dr2J-5fr8A:
8.88
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.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 3 TYR C  90
ARG C  44
SER C  89
 None
 1.18A 4dr2I-5gnwC:
undetectable
4dr2J-5gnwC:
undetectable		 4dr2I-5gnwC:
21.69
4dr2J-5gnwC:
15.87
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.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 TYR A  87
ARG A  85
SER A  84
 None
 1.05A 4dr2I-5i67A:
undetectable
4dr2J-5i67A:
undetectable		 4dr2I-5i67A:
11.59
4dr2J-5i67A:
9.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i73 8B6 ANTIBODY, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TYR B 124
ARG B 117
SER B 118
 None
 1.15A 4dr2I-5i73B:
undetectable
4dr2J-5i73B:
undetectable		 4dr2I-5i73B:
18.83
4dr2J-5i73B:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		3 TYR A 123
ARG A 127
SER A 124
 None
 1.01A 4dr2I-5ivaA:
undetectable
4dr2J-5ivaA:
undetectable		 4dr2I-5ivaA:
12.35
4dr2J-5ivaA:
10.02
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		3 TYR A 441
ARG A 421
SER A 422
 None
 1.13A 4dr2I-5kbrA:
undetectable
4dr2J-5kbrA:
undetectable		 4dr2I-5kbrA:
20.22
4dr2J-5kbrA:
14.34
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.
5kbw RIBOFLAVIN
TRANSPORTER RIBU

(Thermotoga
maritima) 		PF12822
(ECF_trnsprt) 		3 TYR A  95
ARG A 101
SER A 100
 None
 1.02A 4dr2I-5kbwA:
undetectable
4dr2J-5kbwA:
undetectable		 4dr2I-5kbwA:
22.70
4dr2J-5kbwA:
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 3 TYR A 704
ARG A 681
SER A 701
 None
 0.98A 4dr2I-5kk5A:
undetectable
4dr2J-5kk5A:
undetectable		 4dr2I-5kk5A:
7.45
4dr2J-5kk5A:
6.31
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.
5mt2 BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 TYR A 112
ARG A 108
SER A 111
 None
 0.98A 4dr2I-5mt2A:
undetectable
4dr2J-5mt2A:
undetectable		 4dr2I-5mt2A:
16.23
4dr2J-5mt2A:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 3 TYR A 620
ARG A 364
SER A 582
 None
 0.94A 4dr2I-5n6vA:
undetectable
4dr2J-5n6vA:
undetectable		 4dr2I-5n6vA:
19.23
4dr2J-5n6vA:
19.09
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.
5odb D10 FAB FRAGMENT -
LIGHT CHAIN

(Homo sapiens) 		no annotation 3 TYR B 192
ARG B 209
SER B 190
 None
 0.58A 4dr2I-5odbB:
undetectable
4dr2J-5odbB:
undetectable		 4dr2I-5odbB:
17.56
4dr2J-5odbB:
16.22
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.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 TYR A 125
ARG A  83
SER A  80
 None
 1.15A 4dr2I-5oljA:
undetectable
4dr2J-5oljA:
undetectable		 4dr2I-5oljA:
12.50
4dr2J-5oljA:
9.70
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.
5tu4 PAGF
PRENYLTRANSFERASE

(Planktothrix
agardhii) 		no annotation 3 TYR A 176
ARG A 127
SER A 133
 None
 1.07A 4dr2I-5tu4A:
undetectable
4dr2J-5tu4A:
0.2		 4dr2I-5tu4A:
18.94
4dr2J-5tu4A:
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.
5uja BOVINE MULTIDRUG
RESISTANCE PROTEIN 1
(MRP1),MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		3 TYR A1151
ARG A1147
SER A1148
 None
 0.88A 4dr2I-5ujaA:
undetectable
4dr2J-5ujaA:
undetectable		 4dr2I-5ujaA:
7.20
4dr2J-5ujaA:
5.76
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.
5v3g PR DOMAIN ZINC
FINGER PROTEIN 9

(Homo sapiens) 		no annotation 3 TYR D 803
ARG D 795
SER D 813
 None
 1.08A 4dr2I-5v3gD:
undetectable
4dr2J-5v3gD:
undetectable		 4dr2I-5v3gD:
20.22
4dr2J-5v3gD:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00795
(CN_hydrolase) 		3 TYR A 325
ARG A 332
SER A 329
 None
 1.17A 4dr2I-5xhqA:
undetectable
4dr2J-5xhqA:
undetectable		 4dr2I-5xhqA:
14.37
4dr2J-5xhqA:
12.21
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 3 TYR A 505
ARG A 142
SER A 522
 None
 1.06A 4dr2I-5z0uA:
undetectable
4dr2J-5z0uA:
undetectable		 4dr2I-5z0uA:
22.02
4dr2J-5z0uA:
25.49
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 3 TYR A 338
ARG A  90
SER A 445
 None
FAD  A 604 (-3.6A)
None
 1.17A 4dr2I-5z2gA:
undetectable
4dr2J-5z2gA:
undetectable		 4dr2I-5z2gA:
19.08
4dr2J-5z2gA:
19.05
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 3 TYR A1757
ARG A  86
SER A1664
 None
 1.15A 4dr2I-5zalA:
undetectable
4dr2J-5zalA:
undetectable		 4dr2I-5zalA:
19.53
4dr2J-5zalA:
23.68
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.
6gsa -

(-) 		no annotation 3 TYR D 423
ARG D 456
SER D 480
 None
 1.17A 4dr2I-6gsaD:
undetectable
4dr2J-6gsaD:
undetectable		 4dr2I-6gsaD:
undetectable
4dr2J-6gsaD:
undetectable