SIMILAR PATTERNS OF AMINO ACIDS FOR 4KUK_A_RBFA201_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.
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