SIMILAR PATTERNS OF AMINO ACIDS FOR 4R38_B_RBFB201_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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 235
ALA A 143
ILE A 104
GLY A  11
GLN A  83
 None
 1.01A 4r38B-1b3nA:
undetectable		 4r38B-1b3nA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzs SOPE

(Salmonella
enterica) 		PF07487
(SopE_GEF) 		5 ALA B 210
GLN B 225
ALA B 117
ILE B 114
GLN B 223
 None
 1.21A 4r38B-1gzsB:
undetectable		 4r38B-1gzsB:
19.64
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) 		8 ASN A 965
CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLY A1027
GLN A1029
 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 (-3.7A)
FMN  A1033 (-4.2A)
 0.59A 4r38B-1jnuA:
19.6		 4r38B-1jnuA:
33.33
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 ALA A 358
ASN A 318
GLN A  61
ALA A 313
GLY A 354
 None
 1.13A 4r38B-1kplA:
undetectable		 4r38B-1kplA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 ALA A 358
ASN A 318
GLN A  61
ALA A 313
GLY A 355
 None
None
None
None
CL  A 503 (-3.5A)
 1.19A 4r38B-1kplA:
undetectable		 4r38B-1kplA:
14.81
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) 		11 ALA A  25
ASN A  56
CYH A  57
ARG A  58
GLN A  61
ILE A  77
ASN A  89
ASN A  99
LEU A 101
GLY A 118
GLN A 120
 FMN  A 500 ( 3.7A)
FMN  A 500 (-2.9A)
FMN  A 500 (-3.4A)
FMN  A 500 (-4.0A)
FMN  A 500 (-3.3A)
FMN  A 500 (-4.7A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.9A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.7A)
 0.52A 4r38B-1n9lA:
19.5		 4r38B-1n9lA:
38.46
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) 		6 ALA A  25
ASN A  56
CYH A  57
ARG A  58
ILE A  77
ASN A  89
 FMN  A 500 ( 3.7A)
FMN  A 500 (-2.9A)
FMN  A 500 (-3.4A)
FMN  A 500 (-4.0A)
FMN  A 500 (-4.7A)
FMN  A 500 (-3.0A)
 1.11A 4r38B-1n9lA:
19.5		 4r38B-1n9lA:
38.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r71 TRANSCRIPTIONAL
REPRESSOR PROTEIN
KORB

(Escherichia
coli) 		PF08535
(KorB) 		5 ALA A 158
ILE A 161
ASN A 150
LEU A 147
GLY A 179
 None
 1.09A 4r38B-1r71A:
undetectable		 4r38B-1r71A:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s3i 10-FORMYLTETRAHYDROF
OLATE DEHYDROGENASE

(Rattus
norvegicus) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		5 ALA A 266
ALA A 233
ILE A 211
LEU A 287
GLY A 281
 None
 1.13A 4r38B-1s3iA:
undetectable		 4r38B-1s3iA:
21.91
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		5 ALA A  91
ARG A  21
ALA A  13
ASN A  50
GLY A  62
 None
 1.20A 4r38B-1t1jA:
undetectable		 4r38B-1t1jA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ux4 BNI1 PROTEIN

(Saccharomyces
cerevisiae) 		PF02181
(FH2) 		5 GLN A1744
ILE A1737
ASN A1747
ASN A1611
LEU A1610
 None
 1.14A 4r38B-1ux4A:
undetectable		 4r38B-1ux4A:
17.68
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		5 ALA A 386
ILE A 389
ASN A  76
LEU A  75
GLN A  72
 None
 1.23A 4r38B-1v5cA:
undetectable		 4r38B-1v5cA:
19.44
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.
1xp8 RECA PROTEIN

(Deinococcus
radiodurans) 		PF00154
(RecA) 		5 ALA A  88
ILE A  91
ASN A 262
LEU A  63
GLY A  66
 None
 1.15A 4r38B-1xp8A:
undetectable		 4r38B-1xp8A:
18.54
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		5 ASN A 325
ALA A 263
ASN A 334
LEU A 337
GLY A 146
 None
 1.21A 4r38B-2b2iA:
undetectable		 4r38B-2b2iA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Pseudomonas sp.
B-0831) 		PF13561
(adh_short_C2) 		5 ALA A 209
ALA A 116
ILE A 115
LEU A 191
GLY A 214
 None
None
None
NAI  A4000 ( 3.9A)
None
 0.96A 4r38B-2dknA:
undetectable		 4r38B-2dknA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dy3 ALANINE RACEMASE

(Corynebacterium
glutamicum) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A  37
ALA A  12
ILE A  13
ASN A 345
GLY A 216
 None
None
None
None
PLP  A 401 (-3.5A)
 1.19A 4r38B-2dy3A:
undetectable		 4r38B-2dy3A:
21.32
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.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 ALA A 311
ARG A  78
ALA A  69
LEU A 272
GLY A 269
 None
 1.19A 4r38B-2e7uA:
undetectable		 4r38B-2e7uA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 ALA A  99
GLN A 165
ALA A 224
ILE A 225
GLY A 174
 None
 1.16A 4r38B-2gouA:
undetectable		 4r38B-2gouA:
14.89
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 ALA A 155
ALA A 136
ILE A 176
ASN A  96
GLY A  90
 KCX  A 154 ( 3.4A)
None
None
None
KCX  A 154 ( 3.6A)
 1.25A 4r38B-2icsA:
undetectable		 4r38B-2icsA:
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		7 ASN A  61
CYH A  62
GLN A  66
ASN A  94
ASN A 104
LEU A 106
GLN A 123
 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 (-4.2A)
 0.71A 4r38B-2mwgA:
15.3		 4r38B-2mwgA:
26.97
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		6 CYH A  62
ARG A  63
ASN A  94
ASN A 104
GLY A 121
GLN A 123
 FMN  A 900 (-3.3A)
FMN  A 900 (-4.9A)
FMN  A 900 (-2.9A)
FMN  A 900 (-3.9A)
FMN  A 900 (-2.9A)
FMN  A 900 (-4.2A)
 1.24A 4r38B-2mwgA:
15.3		 4r38B-2mwgA:
26.97
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		7 CYH A  62
GLN A  66
ASN A  94
ASN A 104
LEU A 106
GLY A 121
GLN A 123
 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 (-2.9A)
FMN  A 900 (-4.2A)
 0.56A 4r38B-2mwgA:
15.3		 4r38B-2mwgA:
26.97
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) 		9 ASN A  61
CYH A  62
ARG A  63
GLN A  66
ASN A  94
ASN A 104
LEU A 106
GLY A 121
GLN A 123
 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 (-3.9A)
FMN  A 500 (-3.9A)
 0.57A 4r38B-2pr5A:
18.0		 4r38B-2pr5A:
40.54
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.
2uz0 TRIBUTYRIN ESTERASE

(Streptococcus
pneumoniae) 		PF00756
(Esterase) 		5 ALA A 139
ALA A 185
ASN A 208
LEU A 146
GLY A 123
 None
 0.98A 4r38B-2uz0A:
undetectable		 4r38B-2uz0A:
19.41
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.
2v4y URIDYLATE KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 ALA A 158
ALA A 120
ILE A 123
LEU A 134
GLY A  52
 None
 0.96A 4r38B-2v4yA:
undetectable		 4r38B-2v4yA:
22.13
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		8 ASN A 449
ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.64A 4r38B-2wkpA:
17.5		 4r38B-2wkpA:
21.32
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		6 ASN A 449
CYH A 450
ARG A 451
GLN A 454
GLY A 511
GLN A 513
 FMN  A1725 (-3.0A)
FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 1.00A 4r38B-2wkpA:
17.5		 4r38B-2wkpA:
21.32
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 ALA A  54
GLN A  89
ILE A  81
LEU A  74
GLY A  49
 None
 1.23A 4r38B-2yr0A:
undetectable		 4r38B-2yr0A:
18.11
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) 		9 ASN A 233
CYH A 234
ARG A 235
GLN A 238
ASN A 266
ASN A 276
LEU A 278
GLY A 295
GLN A 297
 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 (-3.9A)
FMN  A 500 (-3.6A)
 0.73A 4r38B-2z6cA:
17.8		 4r38B-2z6cA:
36.73
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 ASN A 169
CYH A 170
ARG A 171
GLN A 174
ASN A 202
ASN A 212
LEU A 214
GLY A 231
GLN A 233
 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 (-3.7A)
FMN  A 500 (-3.8A)
 0.51A 4r38B-2z6dA:
19.1		 4r38B-2z6dA:
35.21
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 GLN A 174
ALA A 184
ASN A 202
ASN A 212
LEU A 214
 FMN  A 500 (-3.0A)
None
FMN  A 500 (-3.1A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.3A)
 1.12A 4r38B-2z6dA:
19.1		 4r38B-2z6dA:
35.21
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.
3dwi CYSTEINE SYNTHASE B

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 ALA A 156
ALA A  90
ILE A  59
ASN A  45
LEU A  11
 None
 1.12A 4r38B-3dwiA:
undetectable		 4r38B-3dwiA:
19.44
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.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 241
ILE A 264
ASN A 128
LEU A 124
GLY A 326
 None
 1.23A 4r38B-3fk5A:
undetectable		 4r38B-3fk5A:
18.87
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 360
GLN A 197
ILE A 243
LEU A 368
GLN A 335
 None
 1.24A 4r38B-3gyrA:
undetectable		 4r38B-3gyrA:
13.05
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.
3lwb D-ALANINE--D-ALANINE
LIGASE

(Mycobacterium
tuberculosis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ALA A  31
ILE A  34
LEU A 117
GLY A 140
GLN A 128
 None
 1.09A 4r38B-3lwbA:
undetectable		 4r38B-3lwbA:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3okf 3-DEHYDROQUINATE
SYNTHASE

(Vibrio cholerae) 		PF01761
(DHQ_synthase) 		5 ALA A 256
ALA A 357
ILE A 360
LEU A 336
GLY A 250
 None
 1.03A 4r38B-3okfA:
undetectable		 4r38B-3okfA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		7 ASN A  74
CYH A  75
ARG A  76
ASN A 107
ASN A 117
GLY A 136
GLN A 138
 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 ( 4.0A)
FMN  A 500 (-3.9A)
 0.66A 4r38B-3p7nA:
18.7		 4r38B-3p7nA:
25.49
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 124
ASN B 151
ASN B 161
LEU B 163
GLN B 182
 FAD  B5201 (-3.4A)
FAD  B5201 (-3.0A)
FAD  B5201 (-3.7A)
FAD  B5201 (-3.8A)
FAD  B5201 (-4.1A)
 1.13A 4r38B-3rh8B:
16.4		 4r38B-3rh8B:
31.41
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) 		10 ASN B 107
CYH B 108
ARG B 109
GLN B 112
ILE B 139
ASN B 151
ASN B 161
LEU B 163
GLY B 180
GLN B 182
 FAD  B5201 (-3.2A)
FAD  B5201 (-1.8A)
FAD  B5201 (-4.3A)
FAD  B5201 (-3.1A)
FAD  B5201 (-4.6A)
FAD  B5201 (-3.0A)
FAD  B5201 (-3.7A)
FAD  B5201 (-3.8A)
FAD  B5201 (-3.8A)
FAD  B5201 (-4.1A)
 0.68A 4r38B-3rh8B:
16.4		 4r38B-3rh8B:
31.41
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
ARG A  70
GLN A  73
ILE A  89
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.1A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.5A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.60A 4r38B-3t50A:
20.0		 4r38B-3t50A:
34.33
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) 		6 ASN A  68
CYH A  69
ARG A  70
GLN A  73
LEU A 113
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 (-4.3A)
FMN  A 200 (-3.9A)
 0.93A 4r38B-3t50A:
20.0		 4r38B-3t50A:
34.33
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) 		6 GLN A  73
ALA A  84
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.1A)
None
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 1.38A 4r38B-3t50A:
20.0		 4r38B-3t50A:
34.33
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.
3u43 COLICIN-E2

(Escherichia
coli) 		no annotation 5 ALA B  32
ALA B  39
ILE B  34
LEU B  67
GLN B  70
 None
 1.17A 4r38B-3u43B:
undetectable		 4r38B-3u43B:
22.08
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 ASN A 253
ARG A 255
GLN A 258
ILE A 274
ASN A 286
ASN A 296
GLY A 315
GLN A 317
 FMN  A 500 (-3.1A)
FMN  A 500 (-3.6A)
FMN  A 500 (-3.1A)
FMN  A 500 (-4.9A)
FMN  A 500 (-3.3A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.1A)
 0.76A 4r38B-3ue6A:
19.0		 4r38B-3ue6A:
34.57
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 ASN A 253
CYH A 254
ARG A 255
GLN A 258
ILE A 274
GLY A 315
GLN A 317
 FMN  A 500 (-3.1A)
FMN  A 500 (-3.5A)
FMN  A 500 (-3.6A)
FMN  A 500 (-3.1A)
FMN  A 500 (-4.9A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.1A)
 0.92A 4r38B-3ue6A:
19.0		 4r38B-3ue6A:
34.57
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 ALA A1246
ALA A1193
ILE A1192
ASN A1160
GLY A1243
 None
 1.02A 4r38B-3ummA:
undetectable		 4r38B-3ummA:
7.44
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN A 677
ARG A 643
ASN A 737
ASN A 762
GLY A 103
 None
 1.10A 4r38B-3v8xA:
undetectable		 4r38B-3v8xA:
9.51
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.
3vh0 UNCHARACTERIZED
PROTEIN YNCE

(Escherichia
coli) 		no annotation 5 ALA A  58
ALA A 115
ILE A 116
ASN A 110
GLY A  69
 None
 1.09A 4r38B-3vh0A:
undetectable		 4r38B-3vh0A:
16.57
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.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		5 ALA A 171
ASN A  62
LEU A  61
GLY A  39
GLN A  58
 None
 1.18A 4r38B-3wv4A:
undetectable		 4r38B-3wv4A:
14.35
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.
4avx HEPATOCYTE GROWTH
FACTOR-REGULATED
TYROSINE KINASE
SUBSTRATE

(Homo sapiens) 		PF00790
(VHS)
PF01363
(FYVE) 		5 CYH A 169
ARG A 170
ALA A 163
ILE A 188
GLY A 191
 ZN  A1226 (-2.3A)
None
None
None
None
 1.09A 4r38B-4avxA:
undetectable		 4r38B-4avxA:
24.14
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.
4crm TRANSLATION
INITIATION FACTOR
RLI1

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		5 ALA P   9
ILE P  10
ASN P  78
LEU P  79
GLY P 302
 None
 1.00A 4r38B-4crmP:
undetectable		 4r38B-4crmP:
12.94
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.
4djf CORRINOID/IRON-SULFU
R PROTEIN LARGE
SUBUNIT

(Moorella
thermoacetica) 		PF03599
(CdhD)
PF04060
(FeS) 		5 ALA C 184
ARG C 236
ALA C 266
ILE C 265
LEU C 214
 None
 1.09A 4r38B-4djfC:
undetectable		 4r38B-4djfC:
16.55
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		5 GLN A 129
ILE A 199
ASN A 217
LEU A 216
GLY A 170
 None
None
EDO  A 304 (-3.9A)
EDO  A 304 (-4.2A)
EDO  A 310 (-4.0A)
 1.12A 4r38B-4ecfA:
undetectable		 4r38B-4ecfA:
17.58
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 ASN A 425
ARG A 427
GLN A 430
ILE A 446
ASN A 458
ASN A 468
LEU A 470
GLY A 487
GLN A 489
 FMN  A1001 (-3.0A)
FMN  A1001 (-3.8A)
FMN  A1001 (-3.2A)
FMN  A1001 (-4.6A)
FMN  A1001 (-3.0A)
FMN  A1001 (-3.9A)
FMN  A1001 (-4.2A)
FMN  A1001 (-3.8A)
FMN  A1001 (-3.9A)
 0.56A 4r38B-4eesA:
19.6		 4r38B-4eesA:
35.51
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.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL

(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9) 		9 ASN A  61
CYH A  62
ARG A  63
GLN A  66
ASN A  94
ASN A 104
LEU A 106
GLY A 121
GLN A 123
 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 (-3.7A)
FMN  A 401 (-3.8A)
 0.75A 4r38B-4gczA:
18.4		 4r38B-4gczA:
25.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gpg PROTEASE 1

(Achromobacter
lyticus) 		PF00089
(Trypsin) 		5 ALA A 218
GLN A 226
ASN A 179
GLY A 220
GLN A 181
 None
 1.19A 4r38B-4gpgA:
undetectable		 4r38B-4gpgA:
19.85
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 ASN A 511
ARG A 513
GLN A 516
ILE A 532
ASN A 544
ASN A 554
GLY A 573
GLN A 575
 FMN  A 701 (-2.9A)
FMN  A 701 (-2.6A)
FMN  A 701 (-3.3A)
FMN  A 701 (-4.7A)
FMN  A 701 (-2.8A)
FMN  A 701 (-3.8A)
FMN  A 701 (-3.7A)
FMN  A 701 (-3.6A)
 0.65A 4r38B-4hhdA:
19.2		 4r38B-4hhdA:
31.29
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) 		7 ASN A 511
CYH A 512
ARG A 513
GLN A 516
ILE A 532
GLY A 573
GLN A 575
 FMN  A 701 (-2.9A)
FMN  A 701 (-3.7A)
FMN  A 701 (-2.6A)
FMN  A 701 (-3.3A)
FMN  A 701 (-4.7A)
FMN  A 701 (-3.7A)
FMN  A 701 (-3.6A)
 0.85A 4r38B-4hhdA:
19.2		 4r38B-4hhdA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hj3 LOV PROTEIN

(Rhodobacter
sphaeroides) 		PF13426
(PAS_9) 		9 ASN A  54
CYH A  55
ARG A  56
GLN A  59
ASN A  87
ASN A  97
LEU A  99
GLY A 116
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 (-3.9A)
FMN  A 201 (-3.8A)
 0.77A 4r38B-4hj3A:
15.4		 4r38B-4hj3A:
31.52
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ALA D 236
ALA D 144
ILE D 105
GLY D  12
GLN D  84
 None
 1.17A 4r38B-4jrmD:
undetectable		 4r38B-4jrmD:
15.74
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.
4nyn RIBONUCLEASE HI

(Halobacterium
salinarum) 		PF13456
(RVT_3) 		5 ALA A 121
ALA A  85
ILE A 106
ASN A 185
GLY A 102
 None
 1.18A 4r38B-4nynA:
undetectable		 4r38B-4nynA:
24.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		12 ALA A  23
ASN A  54
CYH A  55
ARG A  56
GLN A  59
ALA A  72
ILE A  75
ASN A  87
ASN A  97
LEU A  99
GLY A 116
GLN A 118
 RBF  A 402 ( 2.9A)
RBF  A 402 (-2.9A)
RBF  A 402 (-3.4A)
RBF  A 402 (-3.6A)
RBF  A 402 (-3.3A)
RBF  A 402 ( 3.1A)
RBF  A 402 (-4.3A)
RBF  A 402 (-2.3A)
RBF  A 402 (-4.0A)
RBF  A 402 (-4.3A)
RBF  A 402 ( 3.8A)
RBF  A 402 (-4.3A)
 0.31A 4r38B-4r3aA:
16.8		 4r38B-4r3aA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ALA A  23
ASN A  54
CYH A  55
ILE A  75
ASN A  87
 RBF  A 402 ( 2.9A)
RBF  A 402 (-2.9A)
RBF  A 402 (-3.4A)
RBF  A 402 (-4.3A)
RBF  A 402 (-2.3A)
 1.06A 4r38B-4r3aA:
16.8		 4r38B-4r3aA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ALA A  23
CYH A  55
ALA A  72
ILE A  75
ASN A  97
 RBF  A 402 ( 2.9A)
RBF  A 402 (-3.4A)
RBF  A 402 ( 3.1A)
RBF  A 402 (-4.3A)
RBF  A 402 (-4.0A)
 1.12A 4r38B-4r3aA:
16.8		 4r38B-4r3aA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ALA A  74
GLN A 118
ALA A  23
ASN A  97
ASN A  87
 None
RBF  A 402 (-4.3A)
RBF  A 402 ( 2.9A)
RBF  A 402 (-4.0A)
RBF  A 402 (-2.3A)
 1.22A 4r38B-4r3aA:
16.8		 4r38B-4r3aA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 235
ALA A 143
ILE A 104
GLY A  11
GLN A  83
 None
 0.98A 4r38B-4r8eA:
undetectable		 4r38B-4r8eA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkx LYS-GINGIPAIN W83

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		5 ALA L 472
ALA L 449
ASN L 433
LEU L 463
GLY L 500
 None
None
EDO  L 709 (-3.7A)
EDO  L 709 ( 4.5A)
None
 1.13A 4r38B-4tkxL:
undetectable		 4r38B-4tkxL:
14.81
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) 		9 ASN A 134
CYH A 135
ARG A 136
GLN A 139
ILE A 161
ASN A 173
ASN A 183
GLY A 202
GLN A 204
 FMN  A5201 (-2.5A)
FMN  A5201 (-3.5A)
FMN  A5201 (-3.7A)
FMN  A5201 (-3.1A)
FMN  A5201 (-3.8A)
FMN  A5201 (-2.4A)
FMN  A5201 (-4.1A)
FMN  A5201 (-3.0A)
FMN  A5201 (-3.7A)
 0.78A 4r38B-4wujA:
15.5		 4r38B-4wujA:
33.96
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 264
ALA A 323
ILE A 322
GLY A 336
GLN A 371
 None
 0.96A 4r38B-4wz9A:
undetectable		 4r38B-4wz9A:
9.94
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 206
ALA A 139
LEU A 124
GLY A 214
GLN A 121
 None
 1.17A 4r38B-4z2aA:
undetectable		 4r38B-4z2aA:
15.07
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 ASN A 286
ARG A 288
GLN A 291
ILE A 307
ASN A 319
ASN A 329
GLY A 348
GLN A 350
 FMN  A 500 (-3.2A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.8A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.2A)
FMN  A 500 (-3.8A)
FMN  A 500 (-3.9A)
 0.74A 4r38B-5a8bA:
17.7		 4r38B-5a8bA:
34.57
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) 		7 ASN A 286
CYH A 287
ARG A 288
GLN A 291
ILE A 307
GLY A 348
GLN A 350
 FMN  A 500 (-3.2A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.8A)
FMN  A 500 (-3.8A)
FMN  A 500 (-3.9A)
 0.90A 4r38B-5a8bA:
17.7		 4r38B-5a8bA:
34.57
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 ASN A 286
CYH A 287
ARG A 288
ILE A 307
ASN A 319
GLY A 348
 FMN  A 500 (-3.2A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.1A)
FMN  A 500 (-4.8A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.8A)
 1.31A 4r38B-5a8bA:
17.7		 4r38B-5a8bA:
34.57
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.
5a9c POLYHEDRIN

(Cypovirus 4) 		PF17515
(CPV_Polyhedrin) 		5 ALA A  36
ASN A 123
ARG A 187
GLN A 188
ASN A 193
 None
 1.21A 4r38B-5a9cA:
undetectable		 4r38B-5a9cA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cnx AMINOPEPTIDASE YPDF

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ALA A 293
ILE A 294
ASN A  26
GLY A 219
GLN A  28
 None
 1.13A 4r38B-5cnxA:
undetectable		 4r38B-5cnxA:
17.51
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 ASN A 449
ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A 601 ( 3.1A)
FMN  A 601 ( 3.8A)
FMN  A 601 (-3.1A)
CL  A 603 (-4.4A)
FMN  A 601 (-3.1A)
FMN  A 601 (-3.9A)
FMN  A 601 (-3.8A)
FMN  A 601 (-3.8A)
 0.62A 4r38B-5djuA:
17.2		 4r38B-5djuA:
32.48
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) 		8 ASN A 286
ARG A 288
GLN A 291
ILE A 307
ASN A 319
ASN A 329
GLY A 348
GLN A 350
 FMN  A 401 (-3.0A)
FMN  A 401 (-4.1A)
FMN  A 401 (-2.8A)
FMN  A 401 (-4.6A)
FMN  A 401 (-3.0A)
FMN  A 401 (-4.1A)
FMN  A 401 (-3.7A)
FMN  A 401 (-3.8A)
 0.86A 4r38B-5dkkA:
17.5		 4r38B-5dkkA:
35.33
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) 		7 ASN A 286
CYH A 287
ARG A 288
GLN A 291
ILE A 307
GLY A 348
GLN A 350
 FMN  A 401 (-3.0A)
FMN  A 401 (-3.4A)
FMN  A 401 (-4.1A)
FMN  A 401 (-2.8A)
FMN  A 401 (-4.6A)
FMN  A 401 (-3.7A)
FMN  A 401 (-3.8A)
 0.96A 4r38B-5dkkA:
17.5		 4r38B-5dkkA:
35.33
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 ASN A 286
CYH A 287
ARG A 288
ILE A 307
ASN A 319
GLY A 348
 FMN  A 401 (-3.0A)
FMN  A 401 (-3.4A)
FMN  A 401 (-4.1A)
FMN  A 401 (-4.6A)
FMN  A 401 (-3.0A)
FMN  A 401 (-3.7A)
 1.29A 4r38B-5dkkA:
17.5		 4r38B-5dkkA:
35.33
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE
PROTEASOME, PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ALA H 166
ALA N  35
LEU N  58
GLY H 171
GLN N  62
 None
 0.91A 4r38B-5fmgH:
undetectable		 4r38B-5fmgH:
18.86
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA C 622
ILE C 475
ASN C 442
GLY C 691
GLN C 509
 MCN  C 921 ( 3.7A)
MCN  C 921 ( 4.3A)
None
MCN  C 921 (-3.6A)
None
 1.17A 4r38B-5g5gC:
undetectable		 4r38B-5g5gC:
12.33
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.
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 ASN A  96
ARG A  98
GLN A 101
ILE A 117
ASN A 129
ASN A 139
GLY A 158
GLN A 160
 FMN  A 402 (-3.2A)
FMN  A 402 (-3.3A)
FMN  A 402 (-2.9A)
FMN  A 402 (-4.8A)
FMN  A 402 (-2.9A)
FMN  A 402 (-4.2A)
FMN  A 402 (-3.7A)
FMN  A 402 (-3.6A)
 0.59A 4r38B-5hzhA:
17.4		 4r38B-5hzhA:
23.33
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) 		8 ASN B1354
ARG B1356
GLN B1359
ILE B1375
ASN B1387
ASN B1397
GLY B1416
GLN B1418
 FMN  B1801 (-3.0A)
FMN  B1801 (-3.9A)
FMN  B1801 (-3.0A)
FMN  B1801 (-4.9A)
FMN  B1801 (-3.0A)
FMN  B1801 (-4.2A)
FMN  B1801 (-3.7A)
FMN  B1801 (-3.7A)
 0.74A 4r38B-5hzkB:
17.9		 4r38B-5hzkB:
13.76
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		6 ASN B1354
CYH B1355
ARG B1356
GLN B1359
GLY B1416
GLN B1418
 FMN  B1801 (-3.0A)
FMN  B1801 (-3.5A)
FMN  B1801 (-3.9A)
FMN  B1801 (-3.0A)
FMN  B1801 (-3.7A)
FMN  B1801 (-3.7A)
 1.05A 4r38B-5hzkB:
17.9		 4r38B-5hzkB:
13.76
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 ALA A  21
CYH A  53
ARG A  54
GLN A  57
ASN A  85
ASN A  95
LEU A  97
GLY A 114
GLN A 116
 FMN  A 500 (-3.6A)
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 (-3.8A)
FMN  A 500 (-4.5A)
 0.63A 4r38B-5j3wA:
17.4		 4r38B-5j3wA:
38.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 265
ALA A 327
ILE A 326
GLY A 340
GLN A 375
 None
 1.04A 4r38B-5j6sA:
undetectable		 4r38B-5j6sA:
9.36
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 ASN A  21
ALA A  52
ILE A  15
ASN A 202
GLY A 205
 None
EDO  A 601 (-3.4A)
None
None
None
 1.25A 4r38B-5khaA:
undetectable		 4r38B-5khaA:
12.93
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.
5mfb YIII(DQ)4CQI

(synthetic
construct) 		PF00514
(Arm) 		5 ALA A  96
ALA A 120
ILE A 119
ASN A  85
ASN A 126
 None
 1.13A 4r38B-5mfbA:
undetectable		 4r38B-5mfbA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME

(Arabidopsis
thaliana) 		no annotation 5 ALA A 218
ALA A 193
ILE A 224
GLY A  66
GLN A 447
 SNN  A 176 ( 4.2A)
None
None
SNN  A 176 ( 3.7A)
SNN  A 176 (-3.0A)
 1.24A 4r38B-5nijA:
undetectable		 4r38B-5nijA:
20.90
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.
5nus P34

(Chaetomium
thermophilum) 		no annotation 5 ALA A 157
ALA A 233
ILE A 232
ASN A  66
GLN A  67
 None
 1.12A 4r38B-5nusA:
undetectable		 4r38B-5nusA:
19.00
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 9 ASN B  53
CYH B  54
ARG B  55
GLN B  58
ILE B  83
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 (-4.2A)
FMN  B5201 (-2.4A)
FMN  B5201 (-3.8A)
FMN  B5201 ( 4.5A)
FMN  B5201 (-3.8A)
 0.98A 4r38B-5svwB:
17.3		 4r38B-5svwB:
32.89
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 9 ASN B  53
CYH B  54
ARG B  55
GLN B  58
ILE B  83
ASN B  95
ASN B 105
LEU B 107
GLY B 124
 FMN  B5201 (-2.9A)
FMN  B5201 (-3.3A)
FMN  B5201 (-3.8A)
FMN  B5201 (-3.1A)
FMN  B5201 (-4.2A)
FMN  B5201 (-2.4A)
FMN  B5201 (-3.8A)
FMN  B5201 ( 4.5A)
FMN  B5201 (-3.0A)
 0.71A 4r38B-5svwB:
17.3		 4r38B-5svwB:
32.89
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.
5x0y TRANSCRIPTION
REGULATORY PROTEIN
SNF2

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF14619
(SnAC) 		5 ALA O 916
ILE O 892
ASN O 783
LEU O 809
GLY O 817
 None
 1.23A 4r38B-5x0yO:
undetectable		 4r38B-5x0yO:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 5 ALA A 276
ALA A 340
ILE A 339
GLY A 353
GLN A 388
 None
 0.98A 4r38B-6bv2A:
undetectable		 4r38B-6bv2A:
21.60
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.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 5 ALA A  87
ASN A 104
LEU A 116
GLY A 133
GLN A 135
 None
FMN  A 500 (-3.0A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.8A)
 1.16A 4r38B-6gbvA:
18.4		 4r38B-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 ASN A  71
ARG A  73
ASN A 104
ASN A 114
LEU A 116
GLY A 133
GLN A 135
 FMN  A 500 ( 3.2A)
FMN  A 500 (-4.5A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.0A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.8A)
 0.79A 4r38B-6gbvA:
18.4		 4r38B-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 ASN A  71
ARG A  73
GLN A  76
ASN A 104
GLY A 133
GLN A 135
 FMN  A 500 ( 3.2A)
FMN  A 500 (-4.5A)
FMN  A 500 (-4.2A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.8A)
 1.04A 4r38B-6gbvA:
18.4		 4r38B-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 ASN A  71
CYH A  72
ARG A  73
ASN A 104
LEU A 116
GLY A 133
GLN A 135
 FMN  A 500 ( 3.2A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.5A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.8A)
 0.95A 4r38B-6gbvA:
18.4		 4r38B-6gbvA:
undetectable