SIMILAR PATTERNS OF AMINO ACIDS FOR 4KUK_A_RBFA201

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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ASN A 104
ASN B 381
ASN A  30
LEU A  55
ILE A 188
 None
 1.49A 4kukA-1as4A:
undetectable		 4kukA-1as4A:
17.44
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 VAL A 264
GLN A 485
LEU A 312
ILE A 491
GLN A 316
 None
 1.48A 4kukA-1ji6A:
undetectable		 4kukA-1ji6A:
12.52
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.
1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Haemophilus
influenzae) 		PF02542
(YgbB) 		5 VAL A  95
CYH A 123
GLN A 122
LEU A  78
ILE A  49
 None
 1.37A 4kukA-1jn1A:
undetectable		 4kukA-1jn1A:
25.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jnu PHY3 PROTEIN

(Adiantum
capillus-veneris) 		PF13426
(PAS_9) 		5 ASN A 965
CYH A 966
ASN A1008
ILE A 982
GLN A1029
 FMN  A1033 (-3.2A)
FMN  A1033 (-1.8A)
FMN  A1033 (-4.1A)
FMN  A1033 (-4.3A)
FMN  A1033 (-4.2A)
 1.26A 4kukA-1jnuA:
19.4		 4kukA-1jnuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jnu PHY3 PROTEIN

(Adiantum
capillus-veneris) 		PF13426
(PAS_9) 		9 VAL A 932
ASN A 941
ASN A 965
CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLN A1029
 None
FMN  A1033 ( 4.4A)
FMN  A1033 (-3.2A)
FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.1A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-4.2A)
 0.57A 4kukA-1jnuA:
19.4		 4kukA-1jnuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jnu PHY3 PROTEIN

(Adiantum
capillus-veneris) 		PF13426
(PAS_9) 		5 VAL A 932
ASN A 941
ASN A 965
CYH A 966
ASN A 998
 None
FMN  A1033 ( 4.4A)
FMN  A1033 (-3.2A)
FMN  A1033 (-1.8A)
FMN  A1033 (-3.2A)
 1.33A 4kukA-1jnuA:
19.4		 4kukA-1jnuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n9l PUTATIVE BLUE LIGHT
RECEPTOR

(Chlamydomonas
reinhardtii) 		PF13426
(PAS_9) 		5 CYH A  57
ASN A  99
LEU A 101
ILE A  73
GLN A 120
 FMN  A 500 (-3.4A)
FMN  A 500 (-3.9A)
FMN  A 500 (-4.1A)
FMN  A 500 ( 4.2A)
FMN  A 500 (-3.7A)
 1.44A 4kukA-1n9lA:
18.9		 4kukA-1n9lA:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n9l PUTATIVE BLUE LIGHT
RECEPTOR

(Chlamydomonas
reinhardtii) 		PF13426
(PAS_9) 		9 VAL A  23
ASN A  56
CYH A  57
ARG A  58
GLN A  61
ASN A  89
ASN A  99
LEU A 101
GLN A 120
 None
FMN  A 500 (-2.9A)
FMN  A 500 (-3.4A)
FMN  A 500 (-4.0A)
FMN  A 500 (-3.3A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.9A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.7A)
 0.38A 4kukA-1n9lA:
18.9		 4kukA-1n9lA:
36.43
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.
1nlr ENDO-1,4-BETA-GLUCAN
ASE

(Streptomyces
lividans) 		PF01670
(Glyco_hydro_12) 		5 SER A 102
ASN A 100
GLN A  30
ASN A  21
GLN A  20
 MHO  A 122 ( 4.1A)
MHO  A 122 ( 4.7A)
None
None
None
 1.31A 4kukA-1nlrA:
undetectable		 4kukA-1nlrA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 SER A 364
ASN A 238
ASN A 351
LEU A 352
ILE A 392
 None
NAD  A 601 (-3.5A)
None
None
None
 1.47A 4kukA-1vkoA:
undetectable		 4kukA-1vkoA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xv9 ORPHAN NUCLEAR
RECEPTOR NR1I3

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 VAL B 172
CYH B 202
ASN B 165
LEU B 343
ILE B 346
 None
 1.46A 4kukA-1xv9B:
undetectable		 4kukA-1xv9B:
19.28
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.
2btw ALR0975 PROTEIN

(Nostoc sp. PCC
7120) 		PF05023
(Phytochelatin) 		5 VAL A 139
SER A 238
ASN A 165
ASN A 159
GLN A 155
 None
 1.46A 4kukA-2btwA:
undetectable		 4kukA-2btwA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		5 SER A 243
ASN A 239
LEU A 360
ILE A 362
GLN A 299
 None
 1.39A 4kukA-2ek8A:
undetectable		 4kukA-2ek8A:
15.68
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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES

(Bacillus cereus) 		PF03486
(HI0933_like) 		5 VAL A 112
ASN A  50
CYH A  49
LEU A 405
ILE A  83
 None
CL  A 424 (-4.8A)
None
None
None
 1.43A 4kukA-2i0zA:
undetectable		 4kukA-2i0zA:
15.21
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		6 VAL A  28
ASN A  37
ASN A 104
LEU A 106
ILE A 108
GLN A 123
 None
FMN  A 900 ( 4.9A)
FMN  A 900 (-3.9A)
FMN  A 900 (-4.3A)
FMN  A 900 ( 4.1A)
FMN  A 900 (-4.2A)
 0.77A 4kukA-2mwgA:
14.8		 4kukA-2mwgA:
22.51
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		6 VAL A  28
ASN A  61
CYH A  62
ASN A 104
LEU A 106
ILE A 108
 None
FMN  A 900 (-2.0A)
FMN  A 900 (-3.3A)
FMN  A 900 (-3.9A)
FMN  A 900 (-4.3A)
FMN  A 900 ( 4.1A)
 1.27A 4kukA-2mwgA:
14.8		 4kukA-2mwgA:
22.51
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		9 VAL A  28
ASN A  61
CYH A  62
GLN A  66
ASN A  94
ASN A 104
LEU A 106
ILE A 108
GLN A 123
 None
FMN  A 900 (-2.0A)
FMN  A 900 (-3.3A)
FMN  A 900 (-2.6A)
FMN  A 900 (-2.9A)
FMN  A 900 (-3.9A)
FMN  A 900 (-4.3A)
FMN  A 900 ( 4.1A)
FMN  A 900 (-4.2A)
 0.85A 4kukA-2mwgA:
14.8		 4kukA-2mwgA:
22.51
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		6 VAL A  28
CYH A  62
ARG A  63
ASN A  94
ASN A 104
GLN A 123
 None
FMN  A 900 (-3.3A)
FMN  A 900 (-4.9A)
FMN  A 900 (-2.9A)
FMN  A 900 (-3.9A)
FMN  A 900 (-4.2A)
 1.18A 4kukA-2mwgA:
14.8		 4kukA-2mwgA:
22.51
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		5 VAL A  58
SER A 114
CYH A 107
GLN A 105
LEU A  95
 None
 1.25A 4kukA-2paaA:
undetectable		 4kukA-2paaA:
15.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pr5 BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF13426
(PAS_9) 		11 VAL A  28
ASN A  37
ASN A  61
CYH A  62
ARG A  63
GLN A  66
ASN A  94
ASN A 104
LEU A 106
ILE A 108
GLN A 123
 None
FMN  A 500 (-3.8A)
FMN  A 500 (-3.2A)
FMN  A 500 (-3.5A)
FMN  A 500 (-3.8A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.1A)
FMN  A 500 (-4.2A)
FMN  A 500 (-3.9A)
 0.38A 4kukA-2pr5A:
17.1		 4kukA-2pr5A:
33.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pr5 BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF13426
(PAS_9) 		5 VAL A  28
ASN A  61
LEU A 106
ILE A 108
GLN A 123
 None
FMN  A 500 (-3.2A)
FMN  A 500 (-4.1A)
FMN  A 500 (-4.2A)
FMN  A 500 (-3.9A)
 1.17A 4kukA-2pr5A:
17.1		 4kukA-2pr5A:
33.76
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 ASN A 449
CYH A 450
ASN A 492
ILE A 466
GLN A 513
 FMN  A1725 (-3.0A)
FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-4.2A)
FMN  A1725 (-3.8A)
 1.47A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		8 VAL A 416
ASN A 425
ASN A 449
ARG A 451
GLN A 454
ASN A 482
ASN A 492
GLN A 513
 None
FMN  A1725 (-3.8A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.8A)
 0.43A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		7 VAL A 416
ASN A 449
CYH A 450
ARG A 451
GLN A 454
ASN A 492
GLN A 513
 None
FMN  A1725 (-3.0A)
FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.8A)
 0.83A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 VAL A 416
ASN A 449
CYH A 450
ARG A 451
LEU A 496
 None
FMN  A1725 (-3.0A)
FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-4.8A)
 1.16A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z6c PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		8 SER A 202
ASN A 233
ARG A 235
GLN A 238
ASN A 266
ASN A 276
LEU A 278
ILE A 280
 FMN  A 500 (-3.6A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.3A)
FMN  A 500 ( 4.6A)
 0.69A 4kukA-2z6cA:
16.6		 4kukA-2z6cA:
38.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z6c PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		10 VAL A 200
ASN A 233
CYH A 234
ARG A 235
GLN A 238
ASN A 266
ASN A 276
LEU A 278
ILE A 280
GLN A 297
 None
FMN  A 500 (-3.0A)
FMN  A 500 (-3.4A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.3A)
FMN  A 500 ( 4.6A)
FMN  A 500 (-3.6A)
 0.52A 4kukA-2z6cA:
16.6		 4kukA-2z6cA:
38.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z6c PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		5 VAL A 200
ASN A 233
LEU A 278
ILE A 280
GLN A 297
 None
FMN  A 500 (-3.0A)
FMN  A 500 (-4.3A)
FMN  A 500 ( 4.6A)
FMN  A 500 (-3.6A)
 1.26A 4kukA-2z6cA:
16.6		 4kukA-2z6cA:
38.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z6d PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		8 SER A 138
ASN A 169
ARG A 171
GLN A 174
ASN A 202
ASN A 212
LEU A 214
GLN A 233
 FMN  A 500 (-3.6A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.7A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.8A)
 0.67A 4kukA-2z6dA:
19.0		 4kukA-2z6dA:
36.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z6d PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		9 VAL A 136
ASN A 169
CYH A 170
ARG A 171
GLN A 174
ASN A 202
ASN A 212
LEU A 214
GLN A 233
 None
FMN  A 500 (-3.0A)
FMN  A 500 (-3.5A)
FMN  A 500 (-3.7A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.8A)
 0.28A 4kukA-2z6dA:
19.0		 4kukA-2z6dA:
36.99
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.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		5 VAL A 145
ASN A 152
ASN A 180
LEU A 169
ILE A 177
 None
 1.47A 4kukA-2zleA:
undetectable		 4kukA-2zleA:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zyl POSSIBLE
OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF00355
(Rieske) 		5 ASN A 257
GLN A 204
ASN A 195
LEU A 329
ILE A 173
 None
 1.27A 4kukA-2zylA:
undetectable		 4kukA-2zylA:
16.06
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.
3ayt PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB071

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 VAL A 168
SER A 170
ASN A 137
ASN A 189
LEU A 206
 None
 1.10A 4kukA-3aytA:
undetectable		 4kukA-3aytA:
21.65
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.
3ezo MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 ARG A 112
ASN A  54
LEU A  53
ILE A  45
GLN A  12
 None
 1.41A 4kukA-3ezoA:
undetectable		 4kukA-3ezoA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 SER A 713
ASN A 714
GLN A 788
LEU A 755
ILE A 812
 None
 1.28A 4kukA-3gm8A:
undetectable		 4kukA-3gm8A:
11.04
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.
3htk E3 SUMO-PROTEIN
LIGASE MMS21

(Saccharomyces
cerevisiae) 		PF11789
(zf-Nse) 		5 VAL C 236
SER C 197
ASN C 201
GLN C 165
ASN C 140
 None
 1.36A 4kukA-3htkC:
undetectable		 4kukA-3htkC:
20.15
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.
3oja ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1

(Anopheles
gambiae) 		PF13855
(LRR_8) 		5 ARG B 354
ASN B 348
ASN B 329
LEU B 310
ILE B 289
 None
 1.48A 4kukA-3ojaB:
undetectable		 4kukA-3ojaB:
15.03
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		5 ASN A  74
CYH A  75
ASN A 117
ILE A  91
GLN A 138
 FMN  A 500 (-3.1A)
FMN  A 500 (-3.3A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.9A)
 1.12A 4kukA-3p7nA:
19.3		 4kukA-3p7nA:
29.91
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		9 VAL A  41
SER A  43
ASN A  50
ASN A  74
CYH A  75
ARG A  76
ASN A 107
ASN A 117
GLN A 138
 None
FMN  A 500 (-3.4A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.3A)
FMN  A 500 (-3.8A)
FMN  A 500 (-3.1A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
 0.46A 4kukA-3p7nA:
19.3		 4kukA-3p7nA:
29.91
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		6 VAL A  41
SER A  43
ASN A  50
ASN A  74
CYH A  75
ASN A 107
 None
FMN  A 500 (-3.4A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.3A)
FMN  A 500 (-3.1A)
 1.21A 4kukA-3p7nA:
19.3		 4kukA-3p7nA:
29.91
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		5 VAL A 121
ASN A 117
ASN A 107
ASN A  74
LEU A  52
 FMN  A 500 (-4.5A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.1A)
None
 1.49A 4kukA-3p7nA:
19.3		 4kukA-3p7nA:
29.91
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.
3qp8 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF03472
(Autoind_bind) 		5 VAL A 109
ARG A 101
GLN A  68
LEU A 104
ILE A 153
 None
 1.18A 4kukA-3qp8A:
2.5		 4kukA-3qp8A:
24.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rh8 VIVID PAS PROTEIN
VVD

(Neurospora
crassa) 		PF13426
(PAS_9) 		5 ARG B 109
GLN B 112
ASN B 151
ASN B 161
ILE B  74
 FAD  B5201 (-4.3A)
FAD  B5201 (-3.1A)
FAD  B5201 (-3.0A)
FAD  B5201 (-3.7A)
FAD  B5201 (-4.9A)
 1.37A 4kukA-3rh8B:
17.5		 4kukA-3rh8B:
32.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rh8 VIVID PAS PROTEIN
VVD

(Neurospora
crassa) 		PF13426
(PAS_9) 		6 ARG B 124
ASN B 151
ASN B 161
LEU B 163
ILE B 165
GLN B 182
 FAD  B5201 (-3.4A)
FAD  B5201 (-3.0A)
FAD  B5201 (-3.7A)
FAD  B5201 (-3.8A)
FAD  B5201 ( 4.1A)
FAD  B5201 (-4.1A)
 1.37A 4kukA-3rh8B:
17.5		 4kukA-3rh8B:
32.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rh8 VIVID PAS PROTEIN
VVD

(Neurospora
crassa) 		PF13426
(PAS_9) 		9 ASN B 107
CYH B 108
ARG B 109
GLN B 112
ASN B 151
ASN B 161
LEU B 163
ILE B 165
GLN B 182
 FAD  B5201 (-3.2A)
FAD  B5201 (-1.8A)
FAD  B5201 (-4.3A)
FAD  B5201 (-3.1A)
FAD  B5201 (-3.0A)
FAD  B5201 (-3.7A)
FAD  B5201 (-3.8A)
FAD  B5201 ( 4.1A)
FAD  B5201 (-4.1A)
 0.57A 4kukA-3rh8B:
17.5		 4kukA-3rh8B:
32.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rh8 VIVID PAS PROTEIN
VVD

(Neurospora
crassa) 		PF13426
(PAS_9) 		6 SER B 178
GLN B 112
ASN B 151
ASN B 161
LEU B 163
GLN B 182
 FAD  B5201 (-3.3A)
FAD  B5201 (-3.1A)
FAD  B5201 (-3.0A)
FAD  B5201 (-3.7A)
FAD  B5201 (-3.8A)
FAD  B5201 (-4.1A)
 0.93A 4kukA-3rh8B:
17.5		 4kukA-3rh8B:
32.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		9 ASN A  44
ASN A  68
ARG A  70
GLN A  73
ASN A 101
ASN A 111
LEU A 113
ILE A 115
GLN A 132
 FMN  A 200 (-4.0A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.53A 4kukA-3t50A:
19.5		 4kukA-3t50A:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		8 ASN A  68
CYH A  69
ARG A  70
GLN A  73
ASN A 111
LEU A 113
ILE A 115
GLN A 132
 FMN  A 200 (-3.1A)
FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.81A 4kukA-3t50A:
19.5		 4kukA-3t50A:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		5 GLN A  73
ASN A 101
ASN A 111
LEU A 113
ILE A  95
 FMN  A 200 (-3.1A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
None
 1.12A 4kukA-3t50A:
19.5		 4kukA-3t50A:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ue6 AUREOCHROME1

(Vaucheria
frigida) 		PF13426
(PAS_9) 		8 VAL A 220
ASN A 229
ASN A 253
ARG A 255
GLN A 258
ASN A 286
ASN A 296
GLN A 317
 None
FMN  A 500 (-3.9A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.6A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.3A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.1A)
 0.43A 4kukA-3ue6A:
19.3		 4kukA-3ue6A:
35.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ue6 AUREOCHROME1

(Vaucheria
frigida) 		PF13426
(PAS_9) 		7 VAL A 220
ASN A 253
CYH A 254
ARG A 255
GLN A 258
ASN A 296
GLN A 317
 None
FMN  A 500 (-3.1A)
FMN  A 500 (-3.5A)
FMN  A 500 (-3.6A)
FMN  A 500 (-3.1A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.1A)
 0.72A 4kukA-3ue6A:
19.3		 4kukA-3ue6A:
35.93
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		5 VAL A 110
SER A  82
CYH A  80
LEU A  52
ILE A  63
 None
 1.45A 4kukA-3zmrA:
undetectable		 4kukA-3zmrA:
15.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ees PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		9 VAL A 392
ASN A 401
ASN A 425
ARG A 427
GLN A 430
ASN A 458
ASN A 468
LEU A 470
GLN A 489
 None
FMN  A1001 (-3.8A)
FMN  A1001 (-3.0A)
FMN  A1001 (-3.8A)
FMN  A1001 (-3.2A)
FMN  A1001 (-3.0A)
FMN  A1001 (-3.9A)
FMN  A1001 (-4.2A)
FMN  A1001 (-3.9A)
 0.32A 4kukA-4eesA:
20.2		 4kukA-4eesA:
34.48
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.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL

(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9) 		5 ASN A  61
CYH A  62
ASN A 104
LEU A 106
ILE A  78
 FMN  A 401 (-3.1A)
FMN  A 401 (-3.3A)
FMN  A 401 (-3.7A)
FMN  A 401 (-4.3A)
FMN  A 401 (-4.1A)
 1.44A 4kukA-4gczA:
17.7		 4kukA-4gczA:
17.72
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.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL

(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9) 		10 VAL A  28
ASN A  37
ASN A  61
ARG A  63
GLN A  66
ASN A  94
ASN A 104
LEU A 106
ILE A 108
GLN A 123
 None
FMN  A 401 (-4.1A)
FMN  A 401 (-3.1A)
FMN  A 401 (-3.9A)
FMN  A 401 (-3.2A)
FMN  A 401 (-3.1A)
FMN  A 401 (-3.7A)
FMN  A 401 (-4.3A)
FMN  A 401 (-4.2A)
FMN  A 401 (-3.8A)
 0.33A 4kukA-4gczA:
17.7		 4kukA-4gczA:
17.72
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.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL

(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9) 		10 VAL A  28
ASN A  61
CYH A  62
ARG A  63
GLN A  66
ASN A  94
ASN A 104
LEU A 106
ILE A 108
GLN A 123
 None
FMN  A 401 (-3.1A)
FMN  A 401 (-3.3A)
FMN  A 401 (-3.9A)
FMN  A 401 (-3.2A)
FMN  A 401 (-3.1A)
FMN  A 401 (-3.7A)
FMN  A 401 (-4.3A)
FMN  A 401 (-4.2A)
FMN  A 401 (-3.8A)
 0.62A 4kukA-4gczA:
17.7		 4kukA-4gczA:
17.72
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.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL

(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9) 		5 VAL A  28
ASN A  61
LEU A 106
ILE A 108
GLN A 123
 None
FMN  A 401 (-3.1A)
FMN  A 401 (-4.3A)
FMN  A 401 (-4.2A)
FMN  A 401 (-3.8A)
 1.22A 4kukA-4gczA:
17.7		 4kukA-4gczA:
17.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hhd PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		8 VAL A 478
ASN A 487
ASN A 511
ARG A 513
GLN A 516
ASN A 544
ASN A 554
GLN A 575
 None
FMN  A 701 (-3.7A)
FMN  A 701 (-2.9A)
FMN  A 701 (-2.6A)
FMN  A 701 (-3.3A)
FMN  A 701 (-2.8A)
FMN  A 701 (-3.8A)
FMN  A 701 (-3.6A)
 0.57A 4kukA-4hhdA:
19.2		 4kukA-4hhdA:
32.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hhd PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		8 VAL A 478
ASN A 487
ASN A 511
CYH A 512
ARG A 513
GLN A 516
ASN A 554
GLN A 575
 None
FMN  A 701 (-3.7A)
FMN  A 701 (-2.9A)
FMN  A 701 (-3.7A)
FMN  A 701 (-2.6A)
FMN  A 701 (-3.3A)
FMN  A 701 (-3.8A)
FMN  A 701 (-3.6A)
 0.81A 4kukA-4hhdA:
19.2		 4kukA-4hhdA:
32.57
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.
4hj3 LOV PROTEIN

(Rhodobacter
sphaeroides) 		PF13426
(PAS_9) 		8 ASN A  54
CYH A  55
ARG A  56
GLN A  59
ASN A  87
ASN A  97
LEU A  99
GLN A 118
 FMN  A 201 (-3.1A)
FMN  A 201 (-3.7A)
FMN  A 201 (-3.4A)
FMN  A 201 (-3.6A)
FMN  A 201 (-2.9A)
FMN  A 201 (-3.8A)
FMN  A 201 (-4.4A)
FMN  A 201 (-3.8A)
 0.73A 4kukA-4hj3A:
15.0		 4kukA-4hj3A:
29.28
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.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ASN A 704
ARG A 724
GLN A 702
LEU A 365
ILE A 385
 None
 1.11A 4kukA-4hwtA:
undetectable		 4kukA-4hwtA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5j UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 SER A 190
ASN A 194
LEU A  94
ILE A  90
GLN A 159
 None
None
None
None
GOL  A 503 (-4.1A)
 1.27A 4kukA-4o5jA:
undetectable		 4kukA-4o5jA:
13.67
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.
4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE

(Rhodococcus
rhodochrous) 		PF00355
(Rieske) 		5 ASN B 258
GLN B 204
ASN B 195
LEU B 330
ILE B 173
 30Q  B 403 ( 4.7A)
30Q  B 403 (-4.0A)
None
None
None
 1.24A 4kukA-4qdfB:
undetectable		 4kukA-4qdfB:
15.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r38 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF13426
(PAS_9) 		8 ASN A  54
CYH A  55
ARG A  56
GLN A  59
ASN A  87
ASN A  97
LEU A  99
GLN A 118
 RBF  A 201 (-2.6A)
RBF  A 201 (-3.3A)
RBF  A 201 (-3.7A)
RBF  A 201 (-3.0A)
RBF  A 201 (-2.4A)
RBF  A 201 (-3.7A)
RBF  A 201 (-4.2A)
RBF  A 201 (-4.0A)
 0.39A 4kukA-4r38A:
18.4		 4kukA-4r38A:
36.54
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		8 ASN A  54
CYH A  55
ARG A  56
GLN A  59
ASN A  87
ASN A  97
LEU A  99
GLN A 118
 RBF  A 402 (-2.9A)
RBF  A 402 (-3.4A)
RBF  A 402 (-3.6A)
RBF  A 402 (-3.3A)
RBF  A 402 (-2.3A)
RBF  A 402 (-4.0A)
RBF  A 402 (-4.3A)
RBF  A 402 (-4.3A)
 0.34A 4kukA-4r3aA:
14.6		 4kukA-4r3aA:
16.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		8 ASN A 134
CYH A 135
ARG A 136
GLN A 139
ASN A 173
ASN A 183
ILE A 187
GLN A 204
 FMN  A5201 (-2.5A)
FMN  A5201 (-3.5A)
FMN  A5201 (-3.7A)
FMN  A5201 (-3.1A)
FMN  A5201 (-2.4A)
FMN  A5201 (-4.1A)
FMN  A5201 (-4.0A)
FMN  A5201 (-3.7A)
 0.65A 4kukA-4wujA:
16.5		 4kukA-4wujA:
35.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 5 ASN E  94
GLN E 477
ASN E 480
ASN E  10
LEU E  12
 None
 1.38A 4kukA-4xmmE:
undetectable		 4kukA-4xmmE:
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 VAL A 575
SER A 571
ASN A 569
LEU A 388
ILE A  51
 None
 1.09A 4kukA-4y9lA:
undetectable		 4kukA-4y9lA:
11.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a8b PTAUREO1A LOV2
DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		9 VAL A 253
ASN A 262
ASN A 286
ARG A 288
GLN A 291
ASN A 319
ASN A 329
ILE A 333
GLN A 350
 None
FMN  A 500 (-3.8A)
FMN  A 500 (-3.2A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.2A)
None
FMN  A 500 (-3.9A)
 0.48A 4kukA-5a8bA:
19.3		 4kukA-5a8bA:
36.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a8b PTAUREO1A LOV2
DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		8 VAL A 253
ASN A 262
ASN A 286
CYH A 287
ARG A 288
GLN A 291
ILE A 333
GLN A 350
 None
FMN  A 500 (-3.8A)
FMN  A 500 (-3.2A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.0A)
None
FMN  A 500 (-3.9A)
 0.75A 4kukA-5a8bA:
19.3		 4kukA-5a8bA:
36.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a8b PTAUREO1A LOV2
DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		6 VAL A 253
ASN A 262
ASN A 286
CYH A 287
ASN A 319
ILE A 333
 None
FMN  A 500 (-3.8A)
FMN  A 500 (-3.2A)
FMN  A 500 (-3.6A)
FMN  A 500 (-3.0A)
None
 1.33A 4kukA-5a8bA:
19.3		 4kukA-5a8bA:
36.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dju NPH1-2

(Avena sativa) 		PF13426
(PAS_9) 		8 VAL A 416
ASN A 425
ASN A 449
ARG A 451
GLN A 454
ASN A 482
ASN A 492
GLN A 513
 None
FMN  A 601 ( 3.9A)
FMN  A 601 ( 3.1A)
FMN  A 601 ( 3.8A)
FMN  A 601 (-3.1A)
FMN  A 601 (-3.1A)
FMN  A 601 (-3.9A)
FMN  A 601 (-3.8A)
 0.47A 4kukA-5djuA:
17.3		 4kukA-5djuA:
30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dkk LOV DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		5 ASN A 286
CYH A 287
ASN A 329
ILE A 303
GLN A 350
 FMN  A 401 (-3.0A)
FMN  A 401 (-3.4A)
FMN  A 401 (-4.1A)
FMN  A 401 (-4.2A)
FMN  A 401 (-3.8A)
 1.44A 4kukA-5dkkA:
19.4		 4kukA-5dkkA:
36.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dkk LOV DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		9 VAL A 253
ASN A 262
ASN A 286
ARG A 288
GLN A 291
ASN A 319
ASN A 329
ILE A 333
GLN A 350
 None
FMN  A 401 (-3.7A)
FMN  A 401 (-3.0A)
FMN  A 401 (-4.1A)
FMN  A 401 (-2.8A)
FMN  A 401 (-3.0A)
FMN  A 401 (-4.1A)
None
FMN  A 401 (-3.8A)
 0.55A 4kukA-5dkkA:
19.4		 4kukA-5dkkA:
36.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dkk LOV DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		9 VAL A 253
ASN A 262
ASN A 286
CYH A 287
ARG A 288
GLN A 291
ASN A 329
ILE A 333
GLN A 350
 None
FMN  A 401 (-3.7A)
FMN  A 401 (-3.0A)
FMN  A 401 (-3.4A)
FMN  A 401 (-4.1A)
FMN  A 401 (-2.8A)
FMN  A 401 (-4.1A)
None
FMN  A 401 (-3.8A)
 0.75A 4kukA-5dkkA:
19.4		 4kukA-5dkkA:
36.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dkk LOV DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		6 VAL A 253
ASN A 262
ASN A 286
CYH A 287
ASN A 319
ILE A 333
 None
FMN  A 401 (-3.7A)
FMN  A 401 (-3.0A)
FMN  A 401 (-3.4A)
FMN  A 401 (-3.0A)
None
 1.27A 4kukA-5dkkA:
19.4		 4kukA-5dkkA:
36.08
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.
5hzh RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE
1,NPH1-1,RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		8 VAL A  63
ASN A  72
ASN A  96
ARG A  98
GLN A 101
ASN A 129
ASN A 139
GLN A 160
 None
FMN  A 402 (-3.8A)
FMN  A 402 (-3.2A)
FMN  A 402 (-3.3A)
FMN  A 402 (-2.9A)
FMN  A 402 (-2.9A)
FMN  A 402 (-4.2A)
FMN  A 402 (-3.6A)
 0.37A 4kukA-5hzhA:
17.7		 4kukA-5hzhA:
25.10
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		8 VAL B1321
ASN B1330
ASN B1354
ARG B1356
GLN B1359
ASN B1387
ASN B1397
GLN B1418
 None
FMN  B1801 (-4.1A)
FMN  B1801 (-3.0A)
FMN  B1801 (-3.9A)
FMN  B1801 (-3.0A)
FMN  B1801 (-3.0A)
FMN  B1801 (-4.2A)
FMN  B1801 (-3.7A)
 0.46A 4kukA-5hzkB:
17.9		 4kukA-5hzkB:
16.33
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		6 VAL B1321
ASN B1354
CYH B1355
ARG B1356
GLN B1359
GLN B1418
 None
FMN  B1801 (-3.0A)
FMN  B1801 (-3.5A)
FMN  B1801 (-3.9A)
FMN  B1801 (-3.0A)
FMN  B1801 (-3.7A)
 0.94A 4kukA-5hzkB:
17.9		 4kukA-5hzkB:
16.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j3w SENSORY BOX PROTEIN

(Pseudomonas
putida) 		PF13426
(PAS_9) 		9 VAL A  19
CYH A  53
ARG A  54
GLN A  57
ASN A  85
ASN A  95
LEU A  97
ILE A  99
GLN A 116
 None
FMN  A 500 (-3.6A)
FMN  A 500 (-3.5A)
FMN  A 500 (-4.0A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.2A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.5A)
 0.64A 4kukA-5j3wA:
16.2		 4kukA-5j3wA:
30.06
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.
5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1

(Saccharomyces
cerevisiae) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 VAL C 162
ASN C 137
ASN C  88
LEU C  97
ILE C 101
 VAL  C 162 ( 0.6A)
ASN  C 137 ( 0.6A)
ASN  C  88 ( 0.6A)
LEU  C  97 ( 0.5A)
ILE  C 101 ( 0.6A)
 1.34A 4kukA-5lmxC:
undetectable		 4kukA-5lmxC:
16.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5svw ADAGIO PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 ARG B  55
GLN B  58
ASN B  95
ASN B 105
ILE B  20
 FMN  B5201 (-3.8A)
FMN  B5201 (-3.1A)
FMN  B5201 (-2.4A)
FMN  B5201 (-3.8A)
FMN  B5201 (-2.9A)
 1.42A 4kukA-5svwB:
16.5		 4kukA-5svwB:
33.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5svw ADAGIO PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 8 ASN B  53
CYH B  54
ARG B  55
GLN B  58
ASN B  95
ASN B 105
LEU B 107
GLN B 126
 FMN  B5201 (-2.9A)
FMN  B5201 (-3.3A)
FMN  B5201 (-3.8A)
FMN  B5201 (-3.1A)
FMN  B5201 (-2.4A)
FMN  B5201 (-3.8A)
FMN  B5201 ( 4.5A)
FMN  B5201 (-3.8A)
 0.86A 4kukA-5svwB:
16.5		 4kukA-5svwB:
33.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5svw ADAGIO PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 ASN B  53
CYH B  54
ARG B  55
LEU B 109
ILE B 122
 FMN  B5201 (-2.9A)
FMN  B5201 (-3.3A)
FMN  B5201 (-3.8A)
FMN  B5201 (-4.0A)
FMN  B5201 (-3.1A)
 0.98A 4kukA-5svwB:
16.5		 4kukA-5svwB:
33.55
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.
6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE

(Shinella sp.
HZN7) 		no annotation 5 ASN A 315
ASN A 368
LEU A 342
ILE A 340
GLN A 337
 None
 1.42A 4kukA-6cr0A:
undetectable		 4kukA-6cr0A:
24.76
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.
6fml INO80

(Chaetomium
thermophilum) 		no annotation 5 ASN G 992
CYH G1128
ARG G1129
GLN G1102
ILE G1105
 None
 1.39A 4kukA-6fmlG:
undetectable		 4kukA-6fmlG:
21.90
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.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 5 ASN A  47
ASN A  71
CYH A  72
ASN A 104
ILE A  88
 FMN  A 500 ( 3.7A)
FMN  A 500 ( 3.2A)
FMN  A 500 (-3.7A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.1A)
 1.47A 4kukA-6gbvA:
25.8		 4kukA-6gbvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 7 VAL A  38
SER A  40
ASN A  47
ASN A  71
ARG A  73
GLN A  76
ASN A 104
 FMN  A 500 (-4.8A)
FMN  A 500 (-3.1A)
FMN  A 500 ( 3.7A)
FMN  A 500 ( 3.2A)
FMN  A 500 (-4.5A)
FMN  A 500 (-4.2A)
FMN  A 500 (-3.0A)
 0.84A 4kukA-6gbvA:
25.8		 4kukA-6gbvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 11 VAL A  38
SER A  40
ASN A  47
ASN A  71
CYH A  72
ARG A  73
ASN A 104
ASN A 114
LEU A 116
ILE A 118
GLN A 135
 FMN  A 500 (-4.8A)
FMN  A 500 (-3.1A)
FMN  A 500 ( 3.7A)
FMN  A 500 ( 3.2A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.5A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.0A)
FMN  A 500 (-4.1A)
None
FMN  A 500 (-3.8A)
 0.66A 4kukA-6gbvA:
25.8		 4kukA-6gbvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 6 VAL A  38
SER A  40
ASN A  47
ASN A  71
CYH A  72
ASN A 104
 FMN  A 500 (-4.8A)
FMN  A 500 (-3.1A)
FMN  A 500 ( 3.7A)
FMN  A 500 ( 3.2A)
FMN  A 500 (-3.7A)
FMN  A 500 (-3.0A)
 1.12A 4kukA-6gbvA:
25.8		 4kukA-6gbvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
12as ASPARAGINE
SYNTHETASE

(Escherichia
coli) 		PF03590
(AsnA) 		5 ILE A 140
ARG A  26
LEU A  27
ILE A 236
GLY A 292
 None
 1.06A 4kukA-12asA:
undetectable		 4kukA-12asA:
17.52
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.
1byw PROTEIN (HUMAN ERG
POTASSIUM CHANNEL)

(Homo sapiens) 		PF13426
(PAS_9) 		5 LEU A  69
ILE A  82
LEU A  86
ILE A  96
PHE A 125
 None
 0.63A 4kukA-1bywA:
17.6		 4kukA-1bywA:
29.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cqi PROTEIN
(SUCCINYL-COA
SYNTHETASE BETA
CHAIN)

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 VAL B 263
ILE B 318
ARG B 348
LEU B 349
GLY B 331
 None
 1.12A 4kukA-1cqiB:
undetectable		 4kukA-1cqiB:
19.17
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.
1ipk BETA-CONGLYCININ,
BETA CHAIN

(Glycine max) 		PF00190
(Cupin_1)
PF07883
(Cupin_2) 		5 VAL A  52
ILE A  51
ARG A  50
ILE A 123
GLY A 339
 None
 1.04A 4kukA-1ipkA:
undetectable		 4kukA-1ipkA:
15.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jnu PHY3 PROTEIN

(Adiantum
capillus-veneris) 		PF13426
(PAS_9) 		5 LEU A 969
VAL A 979
ILE A 982
PHE A1025
GLY A1027
 FMN  A1033 (-4.1A)
FMN  A1033 ( 4.9A)
FMN  A1033 (-4.3A)
FMN  A1033 ( 4.6A)
FMN  A1033 (-3.7A)
 0.41A 4kukA-1jnuA:
19.4		 4kukA-1jnuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n9l PUTATIVE BLUE LIGHT
RECEPTOR

(Chlamydomonas
reinhardtii) 		PF13426
(PAS_9) 		5 LEU A  60
VAL A  70
ILE A  73
PHE A 116
GLY A 118
 FMN  A 500 (-4.3A)
FMN  A 500 (-4.3A)
FMN  A 500 ( 4.2A)
FMN  A 500 (-4.8A)
FMN  A 500 (-3.9A)
 0.34A 4kukA-1n9lA:
18.9		 4kukA-1n9lA:
36.43
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.
1qc5 PROTEIN (ALPHA1
BETA1 INTEGRIN)

(Homo sapiens) 		PF00092
(VWA) 		5 VAL B 336
ILE B 335
LEU B 333
ILE B 337
GLY B 518
 None
 1.04A 4kukA-1qc5B:
undetectable		 4kukA-1qc5B:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 VAL X 318
ILE X 319
LEU X 212
ILE X 281
GLY X 226
 None
 1.11A 4kukA-1r6bX:
undetectable		 4kukA-1r6bX:
11.48
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 MET A 460
LEU A 508
ILE A 515
PHE A 403
GLY A 401
 None
 0.92A 4kukA-1rqgA:
undetectable		 4kukA-1rqgA:
11.39
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.
1t0b THUA-LIKE PROTEIN

(Geobacillus
stearothermophilus) 		PF06283
(ThuA) 		5 VAL A 218
ILE A  98
LEU A  97
ILE A 214
GLY A 103
 None
 1.09A 4kukA-1t0bA:
undetectable		 4kukA-1t0bA:
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.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		5 LEU A  40
VAL A 104
ILE A 108
LEU A 131
ILE A  70
 None
 1.05A 4kukA-1vq0A:
undetectable		 4kukA-1vq0A:
16.89
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 VAL A 169
ILE A 173
ARG A 170
ILE A 241
GLY A 143
 None
None
None
None
EDO  A 503 (-3.7A)
 1.02A 4kukA-1x3lA:
undetectable		 4kukA-1x3lA:
14.74
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 LEU A 359
ILE A  89
ILE A  85
PHE A 342
GLY A 373
 None
 1.03A 4kukA-1zl6A:
undetectable		 4kukA-1zl6A:
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 MET A  86
LEU A 120
ILE A 156
PHE A 112
GLY A 110
 SAM  A 501 (-4.2A)
None
None
SAM  A 501 (-4.7A)
SAM  A 501 (-3.4A)
 1.10A 4kukA-2avdA:
undetectable		 4kukA-2avdA:
19.91
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.
2b2x INTEGRIN ALPHA-1

(Rattus
norvegicus) 		PF00092
(VWA) 		5 VAL A 150
ILE A 149
LEU A 147
ILE A 151
GLY A 332
 None
 1.08A 4kukA-2b2xA:
undetectable		 4kukA-2b2xA:
21.94
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.
2dch PUTATIVE HOMING
ENDONUCLEASE

(Thermoproteus) 		PF14528
(LAGLIDADG_3) 		5 VAL X  37
ILE X  36
LEU X   7
ILE X  33
GLY X  15
 None
 1.12A 4kukA-2dchX:
undetectable		 4kukA-2dchX:
23.04
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.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 VAL A  57
ILE A  36
ARG A  35
LEU A  13
ILE A 351
 None
 1.08A 4kukA-2gd2A:
undetectable		 4kukA-2gd2A:
19.17
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 LEU A 153
VAL A  88
ILE A  92
ILE A  91
GLY A 156
 None
 1.06A 4kukA-2hruA:
undetectable		 4kukA-2hruA:
13.10
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		6 LEU A  65
ILE A  78
ARG A  79
LEU A  82
ILE A  92
GLY A 121
 FMN  A 900 ( 4.1A)
FMN  A 900 ( 4.7A)
None
FMN  A 900 ( 4.8A)
FMN  A 900 ( 4.1A)
FMN  A 900 (-2.9A)
 1.17A 4kukA-2mwgA:
14.8		 4kukA-2mwgA:
22.51
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		7 LEU A  65
VAL A  75
ILE A  78
LEU A  82
ILE A  92
PHE A 119
GLY A 121
 FMN  A 900 ( 4.1A)
None
FMN  A 900 ( 4.7A)
FMN  A 900 ( 4.8A)
FMN  A 900 ( 4.1A)
None
FMN  A 900 (-2.9A)
 0.78A 4kukA-2mwgA:
14.8		 4kukA-2mwgA:
22.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pr5 BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF13426
(PAS_9) 		7 LEU A  65
VAL A  75
ILE A  78
LEU A  82
ILE A  92
PHE A 119
GLY A 121
 FMN  A 500 (-4.4A)
FMN  A 500 (-4.6A)
FMN  A 500 (-4.1A)
FMN  A 500 (-4.5A)
FMN  A 500 ( 4.6A)
FMN  A 500 ( 4.8A)
FMN  A 500 (-3.9A)
 0.24A 4kukA-2pr5A:
17.1		 4kukA-2pr5A:
33.76
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.
2q2v BETA-D-HYDROXYBUTYRA
TE DEHYDROGENASE

(Pseudomonas
putida) 		PF00106
(adh_short) 		5 LEU A 232
VAL A  85
ILE A 135
ILE A  83
GLY A 239
 None
 1.04A 4kukA-2q2vA:
undetectable		 4kukA-2q2vA:
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.
2v4y URIDYLATE KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 LEU A  47
VAL A  51
ILE A  12
LEU A 162
GLY A 232
 None
 1.05A 4kukA-2v4yA:
undetectable		 4kukA-2v4yA:
21.72
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.
2w40 GLYCEROL KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 144
ILE A 208
LEU A 190
ILE A 155
GLY A 163
 None
None
None
None
EDO  A1510 (-3.4A)
 1.01A 4kukA-2w40A:
undetectable		 4kukA-2w40A:
12.97
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 LEU A 453
VAL A 463
ILE A 466
PHE A 509
GLY A 511
 FMN  A1725 (-4.2A)
FMN  A1725 (-4.6A)
FMN  A1725 (-4.2A)
None
FMN  A1725 (-3.7A)
 0.38A 4kukA-2wkpA:
18.0		 4kukA-2wkpA:
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.
2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 VAL A 481
ILE A 485
LEU A 515
PHE A 523
GLY A 500
 None
 1.09A 4kukA-2xdfA:
undetectable		 4kukA-2xdfA:
12.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z6c PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		6 LEU A 237
ILE A 250
LEU A 254
ILE A 264
PHE A 293
GLY A 295
 FMN  A 500 (-4.4A)
FMN  A 500 (-4.1A)
FMN  A 500 (-4.7A)
None
None
FMN  A 500 (-3.9A)
 0.65A 4kukA-2z6cA:
16.6		 4kukA-2z6cA:
38.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z6d PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		5 LEU A 173
VAL A 183
ILE A 186
PHE A 229
GLY A 231
 FMN  A 500 ( 4.4A)
FMN  A 500 ( 4.4A)
FMN  A 500 (-4.1A)
FMN  A 500 ( 4.5A)
FMN  A 500 (-3.7A)
 0.27A 4kukA-2z6dA:
19.1		 4kukA-2z6dA:
36.99
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.
2zqq METHYLGLUTACONYL-COA
HYDRATASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 LEU A 118
VAL A 164
LEU A 107
ILE A 168
GLY A  93
 None
 1.12A 4kukA-2zqqA:
undetectable		 4kukA-2zqqA:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3akk CTKA

(Helicobacter
pylori) 		PF07804
(HipA_C) 		5 LEU A 150
ILE A 207
ARG A 206
LEU A 203
ILE A 282
 None
 1.02A 4kukA-3akkA:
undetectable		 4kukA-3akkA:
17.88
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.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		5 VAL A  66
ILE A 101
ARG A 102
ILE A  93
GLY A 144
 None
 1.11A 4kukA-3axxA:
undetectable		 4kukA-3axxA:
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.
3dt8 BRAIN
PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
SUBUNIT ALPHA

(Bos taurus) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 136
VAL A 121
ILE A 120
LEU A  84
ILE A 117
 None
 1.11A 4kukA-3dt8A:
undetectable		 4kukA-3dt8A:
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.
3few COLICIN S4

(Escherichia
coli) 		PF01024
(Colicin) 		5 LEU X 453
VAL X 313
ILE X 314
ILE X 317
GLY X 479
 None
 0.91A 4kukA-3fewX:
undetectable		 4kukA-3fewX:
15.84
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 MET A  56
ILE A 321
LEU A 317
ILE A  85
GLY A  78
 None
 1.03A 4kukA-3ialA:
undetectable		 4kukA-3ialA:
13.90
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.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		6 LEU A 212
VAL A 263
ILE A 261
ARG A 245
LEU A 253
ILE A 280
 None
 1.42A 4kukA-3innA:
undetectable		 4kukA-3innA:
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.
3kbe SUPEROXIDE DISMUTASE
[CU-ZN]

(Caenorhabditis
elegans) 		PF00080
(Sod_Cu) 		5 LEU A  98
ILE A  34
LEU A  37
ILE A  17
GLY A  43
 None
 0.99A 4kukA-3kbeA:
undetectable		 4kukA-3kbeA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4g PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Homo sapiens) 		PF03483
(B3_4)
PF03484
(B5) 		5 LEU B  77
VAL B  67
ARG B  71
ILE B  65
PHE B  87
 None
 1.08A 4kukA-3l4gB:
undetectable		 4kukA-3l4gB:
13.61
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 MET A 191
ILE A 305
ARG A 279
LEU A 116
ILE A 331
 None
 0.83A 4kukA-3ll8A:
undetectable		 4kukA-3ll8A:
18.47
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.
3mw2 NEUREXIN-1-ALPHA

(Mus musculus) 		PF02210
(Laminin_G_2) 		5 VAL A 268
LEU A 258
ILE A 279
PHE A 254
GLY A  94
 None
 0.91A 4kukA-3mw2A:
undetectable		 4kukA-3mw2A:
20.57
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.
3mw4 NEUREXIN-2-BETA

(Mus musculus) 		PF02210
(Laminin_G_2) 		6 LEU A  95
VAL A 236
LEU A 226
ILE A 247
PHE A 222
GLY A  92
 None
 1.16A 4kukA-3mw4A:
undetectable		 4kukA-3mw4A:
20.88
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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		5 LEU A 388
VAL A  59
LEU A  66
ILE A 390
GLY A 381
 None
 1.11A 4kukA-3ncyA:
undetectable		 4kukA-3ncyA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)

(Rhodobacter
sphaeroides) 		PF00588
(SpoU_methylase) 		5 VAL A  36
ILE A  35
ARG A  34
LEU A  33
GLY A  19
 None
None
BME  A 254 (-3.3A)
None
None
 0.92A 4kukA-3onpA:
undetectable		 4kukA-3onpA:
19.84
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		5 LEU A  78
ILE A  91
ILE A 105
PHE A 134
GLY A 136
 FMN  A 500 (-4.6A)
FMN  A 500 (-3.9A)
FMN  A 500 (-4.1A)
None
FMN  A 500 ( 4.0A)
 0.38A 4kukA-3p7nA:
19.3		 4kukA-3p7nA:
29.91
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.
3qcw NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 VAL A1314
LEU A1304
ILE A1325
PHE A1300
GLY A1140
 None
 0.94A 4kukA-3qcwA:
undetectable		 4kukA-3qcwA:
8.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9p ACKA

(Mycobacterium
avium) 		PF00871
(Acetate_kinase) 		6 LEU A 338
VAL A 366
ILE A 314
ARG A 328
LEU A 196
ILE A 364
 None
None
None
GOL  A 388 ( 4.2A)
None
None
 1.16A 4kukA-3r9pA:
undetectable		 4kukA-3r9pA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ryt PLEXIN-A1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		5 LEU A1720
ILE A1713
LEU A1447
ILE A1818
PHE A1747
 None
 1.10A 4kukA-3rytA:
undetectable		 4kukA-3rytA:
14.07
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 VAL A 110
ILE A 212
LEU A 271
ILE A 108
GLY A 348
 None
 1.07A 4kukA-3sunA:
undetectable		 4kukA-3sunA:
9.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		5 LEU A  72
VAL A  82
ILE A  85
ILE A  99
PHE A 128
 FMN  A 200 (-4.3A)
FMN  A 200 (-4.3A)
FMN  A 200 (-4.2A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-4.5A)
 0.24A 4kukA-3t50A:
19.5		 4kukA-3t50A:
39.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tb6 ARABINOSE METABOLISM
TRANSCRIPTIONAL
REPRESSOR

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		5 LEU A  85
ILE A 101
LEU A 105
ILE A 169
GLY A 138
 None
 1.11A 4kukA-3tb6A:
undetectable		 4kukA-3tb6A:
17.06
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		5 VAL A  66
ILE A 101
ARG A 102
ILE A  93
GLY A 144
 None
 1.12A 4kukA-3w6mA:
undetectable		 4kukA-3w6mA:
17.57
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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		5 VAL A 172
ILE A 291
ILE A 306
PHE A 178
GLY A 141
 None
 0.99A 4kukA-3w9iA:
undetectable		 4kukA-3w9iA:
8.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 MET A 231
VAL A 353
ILE A 356
LEU A 360
ILE A 327
 None
 1.07A 4kukA-3wfoA:
undetectable		 4kukA-3wfoA:
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.
3wfp POLY A POLYMERASE

(Aquifex
aeolicus;
synthetic
construct) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 MET A 231
VAL A 353
ILE A 356
LEU A 360
ILE A 327
 None
 1.06A 4kukA-3wfpA:
undetectable		 4kukA-3wfpA:
17.47
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.
4abk POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		5 VAL A1258
ILE A1262
LEU A1263
ILE A1236
GLY A1290
 AR6  A2389 (-3.9A)
None
None
AR6  A2389 (-3.9A)
None
 1.11A 4kukA-4abkA:
undetectable		 4kukA-4abkA:
20.97
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.
4d82 AAA ATPASE, CENTRAL
DOMAIN PROTEIN

(Metallosphaera
sedula) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 LEU A 278
VAL A 313
ILE A 312
LEU A 344
GLY A 303
 None
 1.09A 4kukA-4d82A:
undetectable		 4kukA-4d82A:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ees PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		5 LEU A 429
VAL A 439
ILE A 442
PHE A 485
GLY A 487
 FMN  A1001 (-4.2A)
FMN  A1001 (-4.5A)
FMN  A1001 (-4.1A)
FMN  A1001 (-4.6A)
FMN  A1001 (-3.8A)
 0.26A 4kukA-4eesA:
20.2		 4kukA-4eesA:
34.48
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.
4f3e CASA

(Thermus
thermophilus) 		PF09481
(CRISPR_Cse1) 		5 LEU A  32
VAL A  17
ILE A  41
ARG A  40
ILE A  15
 None
 1.11A 4kukA-4f3eA:
undetectable		 4kukA-4f3eA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL

(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9) 		7 LEU A  65
VAL A  75
ILE A  78
LEU A  82
ILE A  92
PHE A 119
GLY A 121
 FMN  A 401 (-4.5A)
FMN  A 401 ( 4.6A)
FMN  A 401 (-4.1A)
FMN  A 401 (-4.5A)
FMN  A 401 ( 4.6A)
FMN  A 401 (-4.7A)
FMN  A 401 (-3.7A)
 0.40A 4kukA-4gczA:
17.7		 4kukA-4gczA:
17.72
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF00657
(Lipase_GDSL) 		5 VAL A 216
ILE A 217
LEU A  65
ILE A 138
GLY A  72
 None
 1.13A 4kukA-4h08A:
undetectable		 4kukA-4h08A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0o ACETATE KINASE

(Entamoeba
histolytica) 		PF00871
(Acetate_kinase) 		5 VAL A 331
ILE A 335
LEU A 318
ILE A 298
GLY A 306
 None
 0.76A 4kukA-4h0oA:
undetectable		 4kukA-4h0oA:
14.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hhd PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		6 LEU A 515
VAL A 525
ILE A 528
ARG A 529
PHE A 571
GLY A 573
 FMN  A 701 (-4.4A)
FMN  A 701 (-4.9A)
FMN  A 701 ( 4.1A)
None
FMN  A 701 (-4.9A)
FMN  A 701 (-3.7A)
 0.80A 4kukA-4hhdA:
19.2		 4kukA-4hhdA:
32.57
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.
4hj3 LOV PROTEIN

(Rhodobacter
sphaeroides) 		PF13426
(PAS_9) 		5 LEU A  58
ILE A  71
LEU A  75
PHE A 114
GLY A 116
 FMN  A 201 (-4.4A)
FMN  A 201 ( 4.0A)
FMN  A 201 ( 4.7A)
None
FMN  A 201 (-3.9A)
 0.94A 4kukA-4hj3A:
15.0		 4kukA-4hj3A:
29.28
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.
4i3h TOPOISOMERASE IV
SUBUNIT B, DNA
TOPOISOMERASE 4
SUBUNIT A CHIMERA

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c) 		5 VAL A1343
ILE A1342
LEU A1163
ILE A1201
GLY A1210
 None
 1.09A 4kukA-4i3hA:
undetectable		 4kukA-4i3hA:
8.83
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.
4ijn ACETATE KINASE

(Mycolicibacterium
smegmatis) 		PF00871
(Acetate_kinase) 		5 LEU A 330
VAL A 358
ILE A 306
ARG A 320
LEU A 188
 None
 1.09A 4kukA-4ijnA:
undetectable		 4kukA-4ijnA:
18.07
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		5 MET A 524
ILE A 638
ARG A 612
LEU A 449
ILE A 664
 None
 1.00A 4kukA-4il1A:
undetectable		 4kukA-4il1A:
11.42
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.
4ln1 L-LACTATE
DEHYDROGENASE 1

(Bacillus cereus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A 243
ILE A 247
LEU A 248
ILE A 144
GLY A 116
 None
 1.11A 4kukA-4ln1A:
undetectable		 4kukA-4ln1A:
18.34
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.
4m2g L-ARGININE
BETA-HYDROXYLASE

(Streptomyces
lavendulae) 		PF02668
(TauD) 		5 LEU A 113
VAL A 293
ILE A  74
LEU A  14
GLY A  55
 None
 1.01A 4kukA-4m2gA:
undetectable		 4kukA-4m2gA:
18.89
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.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		5 MET A 191
ILE A 305
ARG A 279
LEU A 116
ILE A 331
 None
 0.85A 4kukA-4orbA:
undetectable		 4kukA-4orbA:
15.41
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 LEU A 300
VAL A 305
ILE A 270
LEU A 280
GLY A 542
 None
 0.98A 4kukA-4ox2A:
undetectable		 4kukA-4ox2A:
12.54
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.
4p52 HOMOSERINE KINASE

(Cytophaga
hutchinsonii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A  70
VAL A 107
ILE A 110
LEU A 114
GLY A  81
 None
 0.98A 4kukA-4p52A:
undetectable		 4kukA-4p52A:
16.87
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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Chromobacterium
violaceum) 		PF04348
(LppC) 		5 VAL A 145
ILE A 146
LEU A 168
ILE A  86
GLY A 107
 None
 1.06A 4kukA-4pyrA:
undetectable		 4kukA-4pyrA:
16.94
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 5 ARG B  96
LEU B 169
ILE B 192
PHE B  80
GLY B  78
 None
None
None
None
ADE  B 301 (-3.2A)
 1.08A 4kukA-4qezB:
undetectable		 4kukA-4qezB:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r38 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF13426
(PAS_9) 		5 LEU A  58
VAL A  68
ILE A  85
PHE A 114
GLY A 116
 RBF  A 201 (-3.9A)
RBF  A 201 (-3.3A)
RBF  A 201 ( 4.2A)
RBF  A 201 (-4.4A)
RBF  A 201 ( 3.3A)
 0.58A 4kukA-4r38A:
18.4		 4kukA-4r38A:
36.54
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 LEU A  58
VAL A  68
ILE A  85
PHE A 114
GLY A 116
 RBF  A 402 (-4.2A)
RBF  A 402 (-3.5A)
RBF  A 402 (-4.0A)
RBF  A 402 ( 4.3A)
RBF  A 402 ( 3.8A)
 0.42A 4kukA-4r3aA:
14.6		 4kukA-4r3aA:
16.98
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		5 LEU A 264
VAL A 222
ILE A 226
ARG A 223
ILE A 239
 None
 1.07A 4kukA-4r3uA:
undetectable		 4kukA-4r3uA:
13.97
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.
4uar PROTEIN CBBY

(Rhodobacter
sphaeroides) 		PF13419
(HAD_2) 		5 ILE A   5
LEU A 174
ILE A 109
PHE A 214
GLY A 219
 None
 1.11A 4kukA-4uarA:
undetectable		 4kukA-4uarA:
20.76
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 LEU A 694
ILE A 741
ARG A 740
LEU A 739
PHE A 715
 None
 0.94A 4kukA-4ufcA:
undetectable		 4kukA-4ufcA:
9.98
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.
4w8o LUCIFERASE-LIKE
ENZYMEAMP-COA-LIGASE

(Zophobas
atratus) 		PF00501
(AMP-binding) 		5 LEU A  87
VAL A  58
ARG A  57
PHE A  25
GLY A  21
 None
 1.10A 4kukA-4w8oA:
undetectable		 4kukA-4w8oA:
14.99
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.
4wed ABC TRANSPORTER,
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Sinorhizobium
meliloti) 		PF00496
(SBP_bac_5) 		5 VAL A 384
ILE A 385
LEU A 396
ILE A 305
GLY A 418
 None
 1.01A 4kukA-4wedA:
undetectable		 4kukA-4wedA:
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.
4wfs TRNA-DIHYDROURIDINE(
20) SYNTHASE
[NAD(P)+]-LIKE

(Homo sapiens) 		PF01207
(Dus) 		5 VAL A 182
ILE A 156
ARG A 157
LEU A 131
ILE A 180
 None
None
SO4  A 403 (-4.2A)
None
None
 0.96A 4kukA-4wfsA:
undetectable		 4kukA-4wfsA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xq7 2'-5'-OLIGOADENYLATE
SYNTHASE-LIKE
PROTEIN

(Homo sapiens) 		PF10421
(OAS1_C) 		5 LEU A  34
ILE A 140
LEU A 118
ILE A 149
PHE A  43
 None
 1.08A 4kukA-4xq7A:
undetectable		 4kukA-4xq7A:
18.78
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.
4zk3 SERPIN B3

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A  42
LEU A 174
ILE A 307
PHE A 115
GLY A 316
 None
 1.07A 4kukA-4zk3A:
undetectable		 4kukA-4zk3A:
15.05
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 LEU A 360
ILE A  90
ILE A  86
PHE A 343
GLY A 374
 None
 1.11A 4kukA-4zktA:
undetectable		 4kukA-4zktA:
7.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a8b PTAUREO1A LOV2
DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		5 LEU A 290
VAL A 300
ILE A 303
PHE A 346
GLY A 348
 FMN  A 500 (-4.0A)
None
FMN  A 500 ( 4.1A)
FMN  A 500 (-4.8A)
FMN  A 500 (-3.8A)
 0.58A 4kukA-5a8bA:
19.3		 4kukA-5a8bA:
36.36
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.
5dem ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 VAL A  92
ILE A  88
ARG A  89
ILE A  94
GLY A  83
 None
 1.05A 4kukA-5demA:
undetectable		 4kukA-5demA:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dju NPH1-2

(Avena sativa) 		PF13426
(PAS_9) 		6 LEU A 453
VAL A 463
ILE A 466
ARG A 467
PHE A 509
GLY A 511
 FMN  A 601 (-4.0A)
FMN  A 601 (-4.6A)
FMN  A 601 ( 4.4A)
None
None
FMN  A 601 (-3.8A)
 0.82A 4kukA-5djuA:
17.3		 4kukA-5djuA:
30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dkk LOV DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		5 LEU A 290
VAL A 300
ILE A 303
PHE A 346
GLY A 348
 FMN  A 401 (-4.1A)
FMN  A 401 (-4.4A)
FMN  A 401 (-4.2A)
FMN  A 401 (-4.8A)
FMN  A 401 (-3.7A)
 0.53A 4kukA-5dkkA:
19.4		 4kukA-5dkkA:
36.08
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.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 MET A 472
VAL A 236
ILE A 239
ILE A 354
GLY A 465
 None
 1.09A 4kukA-5e4rA:
undetectable		 4kukA-5e4rA:
15.92
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.
5hzh RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE
1,NPH1-1,RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 LEU A 100
VAL A 110
ILE A 113
PHE A 156
GLY A 158
 FMN  A 402 (-4.1A)
FMN  A 402 (-4.5A)
FMN  A 402 (-4.3A)
FMN  A 402 (-4.9A)
FMN  A 402 (-3.7A)
 0.39A 4kukA-5hzhA:
17.7		 4kukA-5hzhA:
25.10
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 LEU B1358
VAL B1368
ILE B1371
PHE B1414
GLY B1416
 FMN  B1801 (-4.2A)
FMN  B1801 (-4.5A)
FMN  B1801 (-4.1A)
FMN  B1801 (-4.8A)
FMN  B1801 (-3.7A)
 0.41A 4kukA-5hzkB:
17.9		 4kukA-5hzkB:
16.33
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 VAL A 445
ILE A 448
LEU A 452
ILE A 413
GLY A 405
 None
 1.07A 4kukA-5lq3A:
undetectable		 4kukA-5lq3A:
8.98
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.
5mlc 50S RIBOSOMAL
PROTEIN L21,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00829
(Ribosomal_L21p) 		5 VAL T 186
ILE T 219
ARG T 218
ILE T 156
GLY T 130
 None
None
None
None
U  A1188 ( 3.3A)
 1.05A 4kukA-5mlcT:
undetectable		 4kukA-5mlcT:
17.90
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 LEU A 426
VAL A 413
ILE A 416
ILE A 505
GLY A 547
 None
 0.81A 4kukA-5n94A:
undetectable		 4kukA-5n94A:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t77 PUTATIVE LIPID II
FLIPPASE MURJ

(Thermosipho
africanus) 		PF03023
(MVIN) 		5 LEU A 156
ILE A 163
ILE A 160
PHE A  23
GLY A  21
 OLC  A 527 ( 4.5A)
None
OLC  A 527 ( 4.7A)
OLC  A 536 (-3.3A)
None
 1.08A 4kukA-5t77A:
undetectable		 4kukA-5t77A:
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.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		5 MET A 348
VAL A 308
ILE A 320
ILE A 330
GLY A 356
 None
 1.08A 4kukA-5uinA:
undetectable		 4kukA-5uinA:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 5 LEU A 396
VAL A  81
ILE A  84
LEU A  88
GLY A 366
 None
None
None
None
HEM  A 501 ( 4.5A)
 0.98A 4kukA-5wbgA:
undetectable		 4kukA-5wbgA:
23.44
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.
5x41 COBALT TRANSPORT
PROTEIN CBIM

(Rhodobacter
capsulatus) 		no annotation 5 VAL M  35
ILE M  34
ARG M  38
ILE M  31
GLY M  81
 None
 1.11A 4kukA-5x41M:
undetectable		 4kukA-5x41M:
21.15
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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 LEU A 353
VAL A 339
ILE A 342
ILE A 437
GLY A 479
 None
 0.83A 4kukA-5xdrA:
undetectable		 4kukA-5xdrA:
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 5 LEU A 510
VAL A 497
ILE A 500
ILE A 588
GLY A 632
 None
 0.83A 4kukA-6fa5A:
undetectable		 4kukA-6fa5A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 8 LEU A  75
VAL A  85
ILE A  88
ARG A  89
LEU A  92
ILE A 102
PHE A 131
GLY A 133
 FMN  A 500 (-4.0A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.1A)
None
FMN  A 500 (-4.6A)
FMN  A 500 ( 4.3A)
FMN  A 500 (-4.8A)
FMN  A 500 (-3.9A)
 0.29A 4kukA-6gbvA:
25.8		 4kukA-6gbvA:
undetectable