SIMILAR PATTERNS OF AMINO ACIDS FOR 4RKU_A_PQNA5001_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.
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H

(Streptomyces
plicatus) 		PF00704
(Glyco_hydro_18) 		4 PHE A 102
SER A 104
ALA A 155
LEU A 152
 PHE  A 102 ( 1.3A)
SER  A 104 ( 0.0A)
ALA  A 155 ( 0.0A)
LEU  A 152 ( 0.6A)
 1.02A 4rkuA-1c8xA:
undetectable
4rkuJ-1c8xA:
0.0		 4rkuA-1c8xA:
16.15
4rkuJ-1c8xA:
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.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)

(Clostridium
pasteurianum) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		4 SER A 542
ARG A 540
LEU A 537
PHE A 395
 None
 1.04A 4rkuA-1fehA:
0.0
4rkuJ-1fehA:
0.0		 4rkuA-1fehA:
20.69
4rkuJ-1fehA:
5.91
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.
1g6o CAG-ALPHA

(Helicobacter
pylori) 		PF00437
(T2SSE) 		4 PHE A  84
ARG A  29
ALA A 109
LEU A  28
 None
 0.93A 4rkuA-1g6oA:
0.0
4rkuJ-1g6oA:
0.0		 4rkuA-1g6oA:
17.82
4rkuJ-1g6oA:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ijl PHOSPHOLIPASE A2

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		4 MET A  18
PHE A  19
SER A  22
ARG A 110
 None
 0.84A 4rkuA-1ijlA:
undetectable
4rkuJ-1ijlA:
0.0		 4rkuA-1ijlA:
9.96
4rkuJ-1ijlA:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 PHE A 140
SER A 142
ALA A 132
LEU A 135
 None
 0.95A 4rkuA-1ogyA:
0.0
4rkuJ-1ogyA:
0.0		 4rkuA-1ogyA:
22.44
4rkuJ-1ogyA:
5.52
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.
1ouu HEMOGLOBIN I

(Oncorhynchus
mykiss) 		PF00042
(Globin) 		4 PHE B  42
SER B  44
ALA B  62
PHE B 133
 HEM  B 148 (-4.1A)
HEM  B 148 ( 4.6A)
None
None
 0.83A 4rkuA-1ouuB:
undetectable
4rkuJ-1ouuB:
0.0		 4rkuA-1ouuB:
11.37
4rkuJ-1ouuB:
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.
1pmi PHOSPHOMANNOSE
ISOMERASE

(Candida
albicans) 		PF01238
(PMI_typeI) 		4 MET A 210
PHE A 206
LEU A 321
PHE A 146
 None
 0.89A 4rkuA-1pmiA:
undetectable
4rkuJ-1pmiA:
0.0		 4rkuA-1pmiA:
21.44
4rkuJ-1pmiA:
10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		4 PHE A  39
ARG A  87
ALA A  89
LEU A  88
 None
 0.87A 4rkuA-1rwrA:
undetectable
4rkuJ-1rwrA:
0.0		 4rkuA-1rwrA:
17.91
4rkuJ-1rwrA:
9.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		4 SER A 331
ALA A 264
LEU A 267
PHE A 693
 None
 0.97A 4rkuA-1urjA:
0.1
4rkuJ-1urjA:
0.0		 4rkuA-1urjA:
21.92
4rkuJ-1urjA:
3.30
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.
1wdv HYPOTHETICAL PROTEIN
APE2540

(Aeropyrum
pernix) 		PF04073
(tRNA_edit) 		4 MET A  71
ARG A  80
ALA A  82
LEU A  81
 None
 1.01A 4rkuA-1wdvA:
undetectable
4rkuJ-1wdvA:
undetectable		 4rkuA-1wdvA:
12.64
4rkuJ-1wdvA:
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.
1yzp PEROXIDASE
MANGANESE-DEPENDENT
I

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 PHE A  45
SER A 172
ALA A 272
LEU A 276
 HEM  A 396 (-3.6A)
HEM  A 396 (-2.8A)
None
None
 1.01A 4rkuA-1yzpA:
undetectable
4rkuJ-1yzpA:
undetectable		 4rkuA-1yzpA:
20.80
4rkuJ-1yzpA:
8.57
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		4 PHE A  51
ARG A  69
ALA A  65
LEU A  68
 None
 0.87A 4rkuA-2afbA:
undetectable
4rkuJ-2afbA:
undetectable		 4rkuA-2afbA:
18.92
4rkuJ-2afbA:
9.15
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.
2di3 BACTERIAL REGULATORY
PROTEINS, GNTR
FAMILY

(Corynebacterium
glutamicum) 		PF00392
(GntR)
PF07729
(FCD) 		4 MET A 130
PHE A 140
ALA A 172
LEU A 141
 None
 1.04A 4rkuA-2di3A:
undetectable
4rkuJ-2di3A:
undetectable		 4rkuA-2di3A:
15.10
4rkuJ-2di3A:
12.02
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.
2dwg PROTEIN RUFY3

(Mus musculus) 		PF02759
(RUN) 		4 MET A 126
PHE A 122
ALA A 188
LEU A 189
 None
 0.99A 4rkuA-2dwgA:
1.8
4rkuJ-2dwgA:
undetectable		 4rkuA-2dwgA:
12.53
4rkuJ-2dwgA:
15.28
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.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		4 PHE A 195
ARG A 204
LEU A 205
PHE A 134
 None
 1.01A 4rkuA-2f9qA:
0.6
4rkuJ-2f9qA:
undetectable		 4rkuA-2f9qA:
22.12
4rkuJ-2f9qA:
7.18
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.
2ime 2-HYDROXYCHROMENE-2-
CARBOXYLATE
ISOMERASE

(Pseudomonas
putida) 		PF01323
(DSBA) 		4 PHE A  80
ALA A  71
LEU A  78
PHE A 166
 TOH  A 304 (-4.8A)
None
None
None
 1.03A 4rkuA-2imeA:
undetectable
4rkuJ-2imeA:
undetectable		 4rkuA-2imeA:
14.33
4rkuJ-2imeA:
12.67
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 MET A 616
PHE A 612
ALA A 595
LEU A 596
 None
 1.00A 4rkuA-2ipcA:
1.6
4rkuJ-2ipcA:
undetectable		 4rkuA-2ipcA:
21.51
4rkuJ-2ipcA:
4.36
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.
2iv8 AP-2 COMPLEX SUBUNIT
BETA-1

(Homo sapiens) 		PF02883
(Alpha_adaptinC2)
PF09066
(B2-adapt-app_C) 		4 MET A 740
PHE A 742
ALA A 720
LEU A 723
 None
 1.02A 4rkuA-2iv8A:
undetectable
4rkuJ-2iv8A:
undetectable		 4rkuA-2iv8A:
13.43
4rkuJ-2iv8A:
10.53
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.
2iw1 LIPOPOLYSACCHARIDE
CORE BIOSYNTHESIS
PROTEIN RFAG

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		4 PHE A 151
ARG A 129
ALA A 125
PHE A  11
 None
 1.01A 4rkuA-2iw1A:
undetectable
4rkuJ-2iw1A:
undetectable		 4rkuA-2iw1A:
18.85
4rkuJ-2iw1A:
8.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j2z PAP FIMBRIAL MINOR
PILIN PROTEIN

(Escherichia
coli) 		no annotation 4 PHE B  77
SER B  79
LEU B 137
PHE B 105
 None
None
SO4  B1179 (-4.7A)
None
 1.03A 4rkuA-2j2zB:
undetectable
4rkuJ-2j2zB:
undetectable		 4rkuA-2j2zB:
11.97
4rkuJ-2j2zB:
14.66
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ARG A  43
TRP A  18
ALA A  39
LEU A  42
 None
 1.05A 4rkuA-2nq5A:
undetectable
4rkuJ-2nq5A:
undetectable		 4rkuA-2nq5A:
21.95
4rkuJ-2nq5A:
4.79
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 PHE A 291
SER A 300
ALA A 243
LEU A 269
 DHK  A9241 (-3.4A)
DHK  A9241 (-2.8A)
DHK  A9241 ( 4.6A)
DHK  A9241 (-3.7A)
 0.96A 4rkuA-2o7qA:
undetectable
4rkuJ-2o7qA:
undetectable		 4rkuA-2o7qA:
20.52
4rkuJ-2o7qA:
7.56
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 PHE A  70
ALA A 172
LEU A 168
PHE A 421
 None
 0.94A 4rkuA-2pokA:
undetectable
4rkuJ-2pokA:
undetectable		 4rkuA-2pokA:
21.11
4rkuJ-2pokA:
6.74
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.
2pv7 T-PROTEIN [INCLUDES:
CHORISMATE MUTASE
(EC 5.4.99.5) (CM)
AND PREPHENATE
DEHYDROGENASE (EC
1.3.1.12) (PDH)]

(Haemophilus
influenzae) 		PF02153
(PDH) 		4 PHE A 116
SER A 151
ALA A 205
LEU A 115
 None
NAD  A 400 (-3.8A)
None
None
 0.93A 4rkuA-2pv7A:
undetectable
4rkuJ-2pv7A:
undetectable		 4rkuA-2pv7A:
17.83
4rkuJ-2pv7A:
11.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		4 MET A 387
PHE A 391
ALA A 322
LEU A 323
 None
 1.00A 4rkuA-2qfqA:
undetectable
4rkuJ-2qfqA:
undetectable		 4rkuA-2qfqA:
20.95
4rkuJ-2qfqA:
8.44
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.
2qyf MAD2L1-BINDING
PROTEIN

(Homo sapiens) 		PF06581
(p31comet) 		4 PHE B  60
ARG B 249
ALA B 173
LEU B 172
 None
 0.98A 4rkuA-2qyfB:
undetectable
4rkuJ-2qyfB:
undetectable		 4rkuA-2qyfB:
15.00
4rkuJ-2qyfB:
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		4 MET A 334
PHE A 338
ALA A 404
LEU A 403
 None
 0.99A 4rkuA-2qykA:
undetectable
4rkuJ-2qykA:
undetectable		 4rkuA-2qykA:
17.63
4rkuJ-2qykA:
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.
2rcy PYRROLINE
CARBOXYLATE
REDUCTASE

(Plasmodium
falciparum) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		4 PHE A 145
SER A 147
ALA A  20
LEU A  19
 None
 1.03A 4rkuA-2rcyA:
undetectable
4rkuJ-2rcyA:
undetectable		 4rkuA-2rcyA:
16.29
4rkuJ-2rcyA:
13.98
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.
2re3 UNCHARACTERIZED
PROTEIN

(Ruegeria
pomeroyi) 		PF06938
(DUF1285) 		4 PHE A  66
ARG A  64
ALA A  61
LEU A  65
 None
 1.05A 4rkuA-2re3A:
undetectable
4rkuJ-2re3A:
undetectable		 4rkuA-2re3A:
13.45
4rkuJ-2re3A:
17.99
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.
2xhz ARABINOSE
5-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF01380
(SIS) 		4 MET A  67
PHE A  71
ALA A 177
LEU A 178
 None
 0.91A 4rkuA-2xhzA:
undetectable
4rkuJ-2xhzA:
undetectable		 4rkuA-2xhzA:
12.48
4rkuJ-2xhzA:
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 PHE A 178
ARG A 162
ALA A 155
LEU A 156
 None
 0.85A 4rkuA-2zo4A:
undetectable
4rkuJ-2zo4A:
undetectable		 4rkuA-2zo4A:
17.72
4rkuJ-2zo4A:
9.15
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.
3aqs BACTERIAL REGULATORY
PROTEINS, TETR
FAMILY

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		4 PHE A 159
ARG A 203
ALA A 212
LEU A 202
 None
 0.97A 4rkuA-3aqsA:
undetectable
4rkuJ-3aqsA:
undetectable		 4rkuA-3aqsA:
15.26
4rkuJ-3aqsA:
8.57
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.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans) 		no annotation 4 PHE A 795
ALA A 788
LEU A 791
PHE A 685
 None
 1.06A 4rkuA-3c2gA:
2.5
4rkuJ-3c2gA:
undetectable		 4rkuA-3c2gA:
21.35
4rkuJ-3c2gA:
5.27
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.
3ceu THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Bacteroides
thetaiotaomicron) 		PF02581
(TMP-TENI) 		4 PHE A 166
ARG A 135
ALA A 131
LEU A 134
 None
 1.04A 4rkuA-3ceuA:
undetectable
4rkuJ-3ceuA:
undetectable		 4rkuA-3ceuA:
14.48
4rkuJ-3ceuA:
16.91
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.
3ciy TOLL-LIKE RECEPTOR 3

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 PHE A 217
ARG A 187
ALA A 185
LEU A 186
 None
 0.93A 4rkuA-3ciyA:
undetectable
4rkuJ-3ciyA:
undetectable		 4rkuA-3ciyA:
21.47
4rkuJ-3ciyA:
4.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cji POLYPROTEIN

(Senecavirus A) 		PF00073
(Rhv) 		4 MET C 111
PHE C 269
ARG C 107
ALA C 103
 None
 1.01A 4rkuA-3cjiC:
undetectable
4rkuJ-3cjiC:
undetectable		 4rkuA-3cjiC:
16.76
4rkuJ-3cjiC:
9.62
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.
3cyv UROPORPHYRINOGEN
DECARBOXYLASE

(Shigella
flexneri) 		PF01208
(URO-D) 		4 SER A 223
TRP A 149
ALA A 152
LEU A 151
 None
 1.05A 4rkuA-3cyvA:
undetectable
4rkuJ-3cyvA:
undetectable		 4rkuA-3cyvA:
20.09
4rkuJ-3cyvA:
8.50
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.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 MET A 335
PHE A 334
ALA A   5
LEU A  57
 None
 1.04A 4rkuA-3fpcA:
undetectable
4rkuJ-3fpcA:
undetectable		 4rkuA-3fpcA:
19.13
4rkuJ-3fpcA:
8.02
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.
3gvx GLYCERATE
DEHYDROGENASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 SER A  76
ALA A 268
LEU A 271
PHE A 144
 None
 1.06A 4rkuA-3gvxA:
undetectable
4rkuJ-3gvxA:
undetectable		 4rkuA-3gvxA:
17.66
4rkuJ-3gvxA:
9.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		4 MET A 136
PHE A 137
ALA A 116
LEU A 115
 None
 0.97A 4rkuA-3jyfA:
undetectable
4rkuJ-3jyfA:
undetectable		 4rkuA-3jyfA:
18.71
4rkuJ-3jyfA:
9.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ARG A 338
ALA A 334
LEU A 337
PHE A 113
 None
 1.00A 4rkuA-3kdnA:
undetectable
4rkuJ-3kdnA:
undetectable		 4rkuA-3kdnA:
21.41
4rkuJ-3kdnA:
6.64
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.
3l22 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 PHE A 348
ALA A 148
LEU A 149
PHE A 429
 None
 0.93A 4rkuA-3l22A:
1.3
4rkuJ-3l22A:
undetectable		 4rkuA-3l22A:
19.54
4rkuJ-3l22A:
6.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		4 PHE A   6
SER A 195
ALA A  22
LEU A  25
 None
 1.03A 4rkuA-3lcrA:
undetectable
4rkuJ-3lcrA:
undetectable		 4rkuA-3lcrA:
18.18
4rkuJ-3lcrA:
9.64
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.
3lmm UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF04326
(AlbA_2)
PF13749
(HATPase_c_4) 		4 PHE A 232
SER A 263
ALA A 194
LEU A 193
 None
 0.96A 4rkuA-3lmmA:
undetectable
4rkuJ-3lmmA:
undetectable		 4rkuA-3lmmA:
21.07
4rkuJ-3lmmA:
6.88
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.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		4 PHE A 103
SER A 105
LEU A 450
PHE A 238
 None
 0.99A 4rkuA-3lx6A:
undetectable
4rkuJ-3lx6A:
undetectable		 4rkuA-3lx6A:
19.34
4rkuJ-3lx6A:
8.74
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 MET A 436
PHE A 437
SER A 439
ALA A 404
PHE A 359
 None
 1.45A 4rkuA-3mosA:
undetectable
4rkuJ-3mosA:
undetectable		 4rkuA-3mosA:
20.67
4rkuJ-3mosA:
5.25
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.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 MET A 388
PHE A 392
ALA A 323
LEU A 324
 None
 0.98A 4rkuA-3nvsA:
undetectable
4rkuJ-3nvsA:
undetectable		 4rkuA-3nvsA:
20.78
4rkuJ-3nvsA:
7.01
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 PHE A 140
SER A 142
ALA A 132
LEU A 135
 None
 1.00A 4rkuA-3o5aA:
undetectable
4rkuJ-3o5aA:
undetectable		 4rkuA-3o5aA:
22.24
4rkuJ-3o5aA:
4.29
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.
3o9p PERIPLASMIC MUREIN
PEPTIDE-BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 PHE A 164
ARG A  99
ALA A  29
LEU A 100
PHE A 315
 None
 1.26A 4rkuA-3o9pA:
undetectable
4rkuJ-3o9pA:
undetectable		 4rkuA-3o9pA:
22.06
4rkuJ-3o9pA:
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 PHE A  67
ARG A 128
ALA A 124
LEU A 127
 None
 1.01A 4rkuA-3pvcA:
undetectable
4rkuJ-3pvcA:
undetectable		 4rkuA-3pvcA:
22.19
4rkuJ-3pvcA:
5.43
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.
3qg5 RAD50

(Thermotoga
maritima) 		PF13476
(AAA_23)
PF13558
(SbcCD_C) 		4 PHE A 753
ALA A 780
LEU A 148
PHE A 714
 None
GOL  A3968 ( 4.6A)
GOL  A3968 ( 4.4A)
None
 0.98A 4rkuA-3qg5A:
2.5
4rkuJ-3qg5A:
undetectable		 4rkuA-3qg5A:
19.19
4rkuJ-3qg5A:
6.39
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		4 PHE A 191
SER A 212
ALA A 106
PHE A   9
 None
 1.01A 4rkuA-3silA:
undetectable
4rkuJ-3silA:
undetectable		 4rkuA-3silA:
19.57
4rkuJ-3silA:
6.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t5t PUTATIVE
GLYCOSYLTRANSFERASE

(Streptomyces
hygroscopicus) 		PF00982
(Glyco_transf_20) 		4 PHE A 134
ARG A 136
ALA A 139
PHE A 215
 None
 1.03A 4rkuA-3t5tA:
undetectable
4rkuJ-3t5tA:
undetectable		 4rkuA-3t5tA:
19.89
4rkuJ-3t5tA:
7.51
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.
3tnf LIDA

(Legionella
pneumophila) 		no annotation 4 PHE B 272
SER B 276
ALA B 305
PHE B 250
 None
 1.03A 4rkuA-3tnfB:
2.4
4rkuJ-3tnfB:
undetectable		 4rkuA-3tnfB:
19.37
4rkuJ-3tnfB:
10.55
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.
3tnf LIDA

(Legionella
pneumophila) 		no annotation 4 PHE B 272
SER B 276
ALA B 308
PHE B 250
 None
 1.04A 4rkuA-3tnfB:
2.4
4rkuJ-3tnfB:
undetectable		 4rkuA-3tnfB:
19.37
4rkuJ-3tnfB:
10.55
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.
3u6n HIGH-CONDUCTANCE
CA2+-ACTIVATED K+
CHANNEL PROTEIN

(Danio rerio) 		PF02254
(TrkA_N)
PF03493
(BK_channel_a) 		4 MET A 536
PHE A 511
LEU A 927
PHE A 696
 None
 0.98A 4rkuA-3u6nA:
undetectable
4rkuJ-3u6nA:
undetectable		 4rkuA-3u6nA:
21.37
4rkuJ-3u6nA:
6.64
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ARG A 290
ALA A 286
LEU A 289
PHE A 207
 None
None
None
DVA  A 602 (-4.1A)
 1.02A 4rkuA-3vnsA:
undetectable
4rkuJ-3vnsA:
undetectable		 4rkuA-3vnsA:
23.35
4rkuJ-3vnsA:
8.19
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.
3w4k D-AMINO-ACID OXIDASE

(Homo sapiens) 		PF01266
(DAO) 		4 PHE A 125
ARG A 265
LEU A 266
PHE A  90
 None
 0.95A 4rkuA-3w4kA:
undetectable
4rkuJ-3w4kA:
undetectable		 4rkuA-3w4kA:
19.97
4rkuJ-3w4kA:
11.62
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.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 MET A 147
ALA A 372
LEU A 375
PHE A 337
 None
CL  A 407 ( 4.3A)
None
None
 1.05A 4rkuA-3wigA:
undetectable
4rkuJ-3wigA:
undetectable		 4rkuA-3wigA:
18.51
4rkuJ-3wigA:
8.58
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.
4aq1 NBKB6

(Lama glama) 		PF07686
(V-set) 		4 MET B  64
PHE B  68
ALA B  87
LEU B  86
 None
 0.73A 4rkuA-4aq1B:
undetectable
4rkuJ-4aq1B:
undetectable		 4rkuA-4aq1B:
10.86
4rkuJ-4aq1B:
13.08
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.
4cwe REPLICATION
INITIATION PROTEIN,
REPLICATION
INITIATION PROTEIN

(Staphylococcus
aureus) 		PF02486
(Rep_trans) 		4 PHE A 138
ARG A 140
ALA A  47
LEU A 141
 None
 1.03A 4rkuA-4cweA:
undetectable
4rkuJ-4cweA:
undetectable		 4rkuA-4cweA:
16.67
4rkuJ-4cweA:
9.68
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.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 SER A 535
ARG A 531
ALA A 528
PHE A 500
 None
 0.97A 4rkuA-4d5gA:
undetectable
4rkuJ-4d5gA:
undetectable		 4rkuA-4d5gA:
22.31
4rkuJ-4d5gA:
7.20
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.
4esa HEMOGLOBIN BETA
CHAIN

(Eleginops
maclovinus) 		PF00042
(Globin) 		4 PHE B  42
SER B  44
ALA B  62
PHE B 133
 HEM  B 202 (-4.1A)
HEM  B 202 ( 4.7A)
None
None
 1.03A 4rkuA-4esaB:
undetectable
4rkuJ-4esaB:
undetectable		 4rkuA-4esaB:
12.00
4rkuJ-4esaB:
19.51
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.
4eun THERMORESISTANT
GLUCOKINASE

(Janibacter sp.
HTCC2649) 		PF01202
(SKI) 		4 MET A 127
PHE A 126
SER A  15
ALA A  37
 None
 0.67A 4rkuA-4eunA:
undetectable
4rkuJ-4eunA:
undetectable		 4rkuA-4eunA:
14.89
4rkuJ-4eunA:
14.29
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.
4grc PUTATIVE MEMBRANE
PROTEIN

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		4 PHE A 362
ALA A 365
LEU A 364
PHE A  91
 None
 1.02A 4rkuA-4grcA:
undetectable
4rkuJ-4grcA:
undetectable		 4rkuA-4grcA:
21.57
4rkuJ-4grcA:
7.31
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.
4he8 NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 8

(Thermus
thermophilus) 		no annotation 4 PHE H 298
ARG H 301
LEU H 300
PHE H 200
 None
 0.86A 4rkuA-4he8H:
4.3
4rkuJ-4he8H:
undetectable		 4rkuA-4he8H:
20.47
4rkuJ-4he8H:
7.28
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		4 SER L 453
ALA L 335
LEU L 332
PHE L 517
 None
 1.03A 4rkuA-4heaL:
3.3
4rkuJ-4heaL:
undetectable		 4rkuA-4heaL:
23.80
4rkuJ-4heaL:
7.05
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.
4hp4 EAG-LIKE K[+]
CHANNEL

(Drosophila
melanogaster) 		PF13426
(PAS_9) 		4 PHE A  22
SER A  45
ALA A 127
LEU A 126
 None
 1.04A 4rkuA-4hp4A:
undetectable
4rkuJ-4hp4A:
undetectable		 4rkuA-4hp4A:
10.65
4rkuJ-4hp4A:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iu4 ARGINASE

(Leishmania
mexicana) 		PF00491
(Arginase) 		4 MET A  15
PHE A 106
ALA A 276
LEU A 281
 None
 0.92A 4rkuA-4iu4A:
undetectable
4rkuJ-4iu4A:
undetectable		 4rkuA-4iu4A:
18.50
4rkuJ-4iu4A:
8.02
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.
4j8b COATOMER ALPHA
SUBUNIT

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 MET A 322
PHE A 324
ALA A   2
LEU A 326
 None
 1.04A 4rkuA-4j8bA:
undetectable
4rkuJ-4j8bA:
undetectable		 4rkuA-4j8bA:
19.27
4rkuJ-4j8bA:
8.89
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		4 PHE A 268
ARG A 316
ALA A 131
LEU A 130
 None
 0.99A 4rkuA-4jjjA:
undetectable
4rkuJ-4jjjA:
undetectable		 4rkuA-4jjjA:
23.14
4rkuJ-4jjjA:
5.01
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.
4kt6 NICOTINE ADENINE
DINUCLEOTIDE
GLYCOHYDROLASE

(Streptococcus
pyogenes) 		PF07461
(NADase_NGA) 		4 PHE A 284
ALA A 409
LEU A 408
PHE A 305
 None
 1.02A 4rkuA-4kt6A:
undetectable
4rkuJ-4kt6A:
undetectable		 4rkuA-4kt6A:
15.95
4rkuJ-4kt6A:
11.98
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.
4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 MET A 140
PHE A 142
SER A 183
LEU A 197
 None
 0.77A 4rkuA-4l39A:
undetectable
4rkuJ-4l39A:
undetectable		 4rkuA-4l39A:
22.19
4rkuJ-4l39A:
7.95
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.
4lcm TRANSESTERASE

(Aspergillus
terreus) 		PF00144
(Beta-lactamase) 		4 PHE A 384
ARG A  73
ALA A  75
LEU A  74
 None
 1.03A 4rkuA-4lcmA:
undetectable
4rkuJ-4lcmA:
undetectable		 4rkuA-4lcmA:
20.43
4rkuJ-4lcmA:
7.67
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.
4lim DNA PRIMASE SMALL
SUBUNIT

(Saccharomyces
cerevisiae) 		PF01896
(DNA_primase_S) 		4 ARG A 202
ALA A 204
LEU A 203
PHE A 152
 None
 0.84A 4rkuA-4limA:
undetectable
4rkuJ-4limA:
undetectable		 4rkuA-4limA:
19.11
4rkuJ-4limA:
8.33
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.
4mrd CD44 ANTIGEN

(Mus musculus) 		PF00193
(Xlink) 		4 PHE A  60
SER A  62
ALA A  53
LEU A  56
 None
 1.00A 4rkuA-4mrdA:
undetectable
4rkuJ-4mrdA:
undetectable		 4rkuA-4mrdA:
13.84
4rkuJ-4mrdA:
22.00
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		4 MET A 248
PHE A 252
LEU A 436
PHE A 369
 None
 0.91A 4rkuA-4n0iA:
0.8
4rkuJ-4n0iA:
undetectable		 4rkuA-4n0iA:
21.88
4rkuJ-4n0iA:
6.81
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.
4p72 PHENYLALANINE--TRNA
LIGASE BETA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 PHE A 524
SER A 547
TRP A 549
ALA A 592
 None
 0.99A 4rkuA-4p72A:
undetectable
4rkuJ-4p72A:
undetectable		 4rkuA-4p72A:
23.34
4rkuJ-4p72A:
5.07
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.
4p7y METHIONINE
GAMMA-LYASE

(Citrobacter
freundii) 		PF01053
(Cys_Met_Meta_PP) 		4 SER A  90
ALA A 233
LEU A  83
PHE A  39
 None
 0.96A 4rkuA-4p7yA:
undetectable
4rkuJ-4p7yA:
undetectable		 4rkuA-4p7yA:
20.44
4rkuJ-4p7yA:
11.29
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.
4pq9 BETA-1,3-GLUCANASE

(Mycobacterium
marinum) 		PF00722
(Glyco_hydro_16) 		4 MET A 250
PHE A 122
LEU A 176
PHE A 218
 None
 0.98A 4rkuA-4pq9A:
undetectable
4rkuJ-4pq9A:
undetectable		 4rkuA-4pq9A:
15.43
4rkuJ-4pq9A:
13.24
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.
4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI

(Bacillus
subtilis) 		PF00378
(ECH_1) 		4 MET A  20
ALA A  90
LEU A  89
PHE A 234
 None
 1.01A 4rkuA-4q1jA:
undetectable
4rkuJ-4q1jA:
undetectable		 4rkuA-4q1jA:
15.98
4rkuJ-4q1jA:
10.57
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.
4r89 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08774
(VRR_NUC) 		4 PHE A 491
ARG A 493
TRP A 490
LEU A 494
 None
 1.01A 4rkuA-4r89A:
undetectable
4rkuJ-4r89A:
undetectable		 4rkuA-4r89A:
21.35
4rkuJ-4r89A:
5.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 PHE A 215
ALA A 244
LEU A 243
PHE A 133
 None
 0.82A 4rkuA-4woeA:
undetectable
4rkuJ-4woeA:
undetectable		 4rkuA-4woeA:
20.60
4rkuJ-4woeA:
5.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wxt THIOREDOXIN

(Mycobacterium
avium) 		PF00085
(Thioredoxin) 		4 PHE A  18
SER A  17
ALA A  24
LEU A  23
 None
 1.05A 4rkuA-4wxtA:
undetectable
4rkuJ-4wxtA:
undetectable		 4rkuA-4wxtA:
10.39
4rkuJ-4wxtA:
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		4 SER A 262
ALA A 321
LEU A 324
PHE A  69
 None
 1.04A 4rkuA-4xwlA:
2.5
4rkuJ-4xwlA:
undetectable		 4rkuA-4xwlA:
20.08
4rkuJ-4xwlA:
5.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		4 PHE A 136
ARG A 127
ALA A 123
LEU A 126
 None
 0.80A 4rkuA-4y5rA:
undetectable
4rkuJ-4y5rA:
undetectable		 4rkuA-4y5rA:
18.18
4rkuJ-4y5rA:
7.95
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.
4y96 TRIOSEPHOSPHATE
ISOMERASE

(Gemmata
obscuriglobus) 		PF00121
(TIM) 		4 ARG A 199
ALA A 207
LEU A 198
PHE A  45
 None
 0.98A 4rkuA-4y96A:
undetectable
4rkuJ-4y96A:
undetectable		 4rkuA-4y96A:
16.90
4rkuJ-4y96A:
11.20
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.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		4 PHE A  81
SER A 130
ALA A 139
LEU A 123
 None
 1.02A 4rkuA-4z4lA:
undetectable
4rkuJ-4z4lA:
undetectable		 4rkuA-4z4lA:
18.84
4rkuJ-4z4lA:
7.89
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.
5awm STRESS-ACTIVATED
PROTEIN KINASE JNK

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 ARG A  28
ALA A  40
LEU A  27
PHE A  99
 None
 0.97A 4rkuA-5awmA:
undetectable
4rkuJ-5awmA:
undetectable		 4rkuA-5awmA:
19.18
4rkuJ-5awmA:
17.91
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.
5c2i ALR1585 PROTEIN

(Nostoc sp. PCC
7120) 		PF04261
(Dyp_perox) 		4 MET A 451
ALA A 367
LEU A 386
PHE A  51
 None
 1.04A 4rkuA-5c2iA:
undetectable
4rkuJ-5c2iA:
undetectable		 4rkuA-5c2iA:
20.50
4rkuJ-5c2iA:
6.70
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.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 PHE A 177
SER A 179
ALA A 170
LEU A 173
 None
 1.02A 4rkuA-5dp2A:
undetectable
4rkuJ-5dp2A:
undetectable		 4rkuA-5dp2A:
18.78
4rkuJ-5dp2A:
10.53
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.
5e3t PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE I,
ALPHA

(Danio rerio) 		PF01504
(PIP5K) 		4 MET A 221
PHE A 203
ALA A 178
LEU A 181
 None
 0.98A 4rkuA-5e3tA:
undetectable
4rkuJ-5e3tA:
undetectable		 4rkuA-5e3tA:
18.51
4rkuJ-5e3tA:
9.61
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 ARG A 359
ALA A 363
LEU A 362
PHE A 442
 None
 1.05A 4rkuA-5eawA:
undetectable
4rkuJ-5eawA:
undetectable		 4rkuA-5eawA:
22.05
4rkuJ-5eawA:
3.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		4 SER A 165
ARG A 188
ALA A 172
LEU A 187
 None
 0.91A 4rkuA-5ebbA:
undetectable
4rkuJ-5ebbA:
undetectable		 4rkuA-5ebbA:
19.75
4rkuJ-5ebbA:
8.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 4 PHE B 660
SER B 665
ALA B 633
PHE B 576
 None
 0.96A 4rkuA-5eduB:
undetectable
4rkuJ-5eduB:
undetectable		 4rkuA-5eduB:
21.75
4rkuJ-5eduB:
4.87
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 PHE A 241
SER A 246
ALA A 215
PHE A 158
 None
 1.00A 4rkuA-5eefA:
undetectable
4rkuJ-5eefA:
undetectable		 4rkuA-5eefA:
19.61
4rkuJ-5eefA:
8.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		4 PHE A 414
ALA A 408
LEU A 410
PHE A 324
 None
 0.98A 4rkuA-5fifA:
undetectable
4rkuJ-5fifA:
undetectable		 4rkuA-5fifA:
22.45
4rkuJ-5fifA:
8.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hst POLYKETIDE SYNTHASE
TYPE I

(Bacillus
amyloliquefaciens) 		PF14765
(PS-DH) 		5 SER A 165
ARG A 290
ALA A 288
LEU A 289
PHE A 108
 None
 1.24A 4rkuA-5hstA:
undetectable
4rkuJ-5hstA:
undetectable		 4rkuA-5hstA:
17.24
4rkuJ-5hstA:
10.69