SIMILAR PATTERNS OF AMINO ACIDS FOR 4R38_C_RBFC201_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
 1.08A 4r38C-1b3nA:
undetectable		 4r38C-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.
1cau CANAVALIN

(Canavalia
ensiformis) 		PF00190
(Cupin_1) 		5 ALA B 355
ASN B 284
LEU B 286
MET B 288
GLY B 263
 None
 1.19A 4r38C-1cauB:
undetectable		 4r38C-1cauB:
23.12
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) 		7 CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLY A1027
GLN A1029
 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)
 0.57A 4r38C-1jnuA:
19.6		 4r38C-1jnuA:
33.33
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) 		10 ALA A  25
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 (-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)
 0.50A 4r38C-1n9lA:
9.2		 4r38C-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) 		5 ALA A  25
CYH A  57
ARG A  58
ILE A  77
ASN A  89
 FMN  A 500 ( 3.7A)
FMN  A 500 (-3.4A)
FMN  A 500 (-4.0A)
FMN  A 500 (-4.7A)
FMN  A 500 (-3.0A)
 1.11A 4r38C-1n9lA:
9.2		 4r38C-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
 1.10A 4r38C-1r71A:
undetectable		 4r38C-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
 1.10A 4r38C-1s3iA:
undetectable		 4r38C-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
 1.19A 4r38C-1t1jA:
undetectable		 4r38C-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.
1xp8 RECA PROTEIN

(Deinococcus
radiodurans) 		PF00154
(RecA) 		5 ALA A  88
ILE A  91
ASN A 262
LEU A  63
GLY A  66
 None
 1.18A 4r38C-1xp8A:
undetectable		 4r38C-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.
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
 0.97A 4r38C-2dknA:
undetectable		 4r38C-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.
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
 1.17A 4r38C-2e7uA:
undetectable		 4r38C-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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 ALA A 185
ALA A 116
ILE A 119
LEU A 139
MET A 137
 NA  A 614 (-4.2A)
None
None
None
None
 0.97A 4r38C-2gkoA:
undetectable		 4r38C-2gkoA:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 ALA A  72
ALA A 123
ILE A 122
GLY A  90
GLN A 282
 None
 1.22A 4r38C-2hruA:
undetectable		 4r38C-2hruA:
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 ALA A 345
ILE A 477
LEU A 172
MET A 165
GLY A 162
 None
 1.17A 4r38C-2inpA:
undetectable		 4r38C-2inpA:
14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.62A 4r38C-2mwgA:
15.3		 4r38C-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.
2ouc DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10

(Homo sapiens) 		PF00581
(Rhodanese) 		5 ALA A 191
ILE A 174
ASN A 282
LEU A 283
MET A 159
 None
 1.15A 4r38C-2oucA:
undetectable		 4r38C-2oucA:
23.49
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.
2pge MENC

(Desulfotalea
psychrophila) 		PF13378
(MR_MLE_C) 		5 ALA A 224
ALA A 263
ILE A 262
MET A 251
GLN A 247
 None
 1.00A 4r38C-2pgeA:
undetectable		 4r38C-2pgeA:
16.58
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) 		8 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 (-3.5A)
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)
 0.54A 4r38C-2pr5A:
17.9		 4r38C-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
 0.97A 4r38C-2uz0A:
undetectable		 4r38C-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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		7 ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 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)
 0.59A 4r38C-2wkpA:
17.6		 4r38C-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 CYH A 450
ARG A 451
GLN A 454
ILE A 470
GLY A 511
GLN A 513
 FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-4.7A)
FMN  A1725 (-3.7A)
FMN  A1725 (-3.8A)
 0.96A 4r38C-2wkpA:
17.6		 4r38C-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.
2wwv N,N'-DIACETYLCHITOBI
OSE-SPECIFIC
PHOSPHOTRANSFERASE
ENZYME IIB COMPONENT

(Escherichia
coli) 		PF02302
(PTS_IIB) 		5 ALA D  95
ILE D   6
LEU D  19
MET D  23
GLY D  89
 None
 1.02A 4r38C-2wwvD:
undetectable		 4r38C-2wwvD:
19.29
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.
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
 1.20A 4r38C-2yr0A:
undetectable		 4r38C-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) 		8 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 (-3.4A)
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)
 0.72A 4r38C-2z6cA:
17.8		 4r38C-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) 		8 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 (-3.5A)
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)
 0.47A 4r38C-2z6dA:
19.1		 4r38C-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)
 1.13A 4r38C-2z6dA:
19.1		 4r38C-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.
3ay5 CYCLIN-D1-BINDING
PROTEIN 1

(Homo sapiens) 		PF13324
(GCIP) 		5 ALA A 172
ALA A 121
LEU A 106
GLY A 111
GLN A 110
 None
 1.14A 4r38C-3ay5A:
undetectable		 4r38C-3ay5A:
17.18
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		5 ALA A 186
ALA A 117
ILE A 120
LEU A 140
MET A 138
 CA  A 316 (-4.2A)
None
None
None
None
 0.98A 4r38C-3d43A:
undetectable		 4r38C-3d43A:
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ALA A 248
ALA A 179
ILE A 178
LEU A 254
MET A 238
 None
 1.01A 4r38C-3i3yA:
undetectable		 4r38C-3i3yA:
19.08
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.
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
 1.11A 4r38C-3lwbA:
undetectable		 4r38C-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.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 ALA A 320
ILE A 319
LEU A 302
MET A 284
GLY A 285
 None
 1.05A 4r38C-3nvsA:
undetectable		 4r38C-3nvsA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 4r38C-3okfA:
undetectable		 4r38C-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.
3ouv SERINE/THREONINE
PROTEIN KINASE

(Mycobacterium
tuberculosis) 		PF03793
(PASTA) 		5 GLN A  13
ALA A  51
ILE A   7
LEU A  63
GLN A  19
 None
 1.17A 4r38C-3ouvA:
undetectable		 4r38C-3ouvA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		6 CYH A  75
ARG A  76
ASN A 107
ASN A 117
GLY A 136
GLN A 138
 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)
 0.65A 4r38C-3p7nA:
8.1		 4r38C-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)
 1.11A 4r38C-3rh8B:
16.4		 4r38C-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) 		9 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 (-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)
 0.67A 4r38C-3rh8B:
16.4		 4r38C-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) 		7 ARG A  70
GLN A  73
ILE A  89
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.9A)
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)
 0.59A 4r38C-3t50A:
20.0		 4r38C-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 CYH A  69
ARG A  70
GLN A  73
ILE A  89
LEU A 113
GLN A 132
 FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.5A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.93A 4r38C-3t50A:
20.0		 4r38C-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)
 1.30A 4r38C-3t50A:
20.0		 4r38C-3t50A:
34.33
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 ARG A 255
GLN A 258
ILE A 274
ASN A 286
ASN A 296
GLY A 315
GLN A 317
 FMN  A 500 (-3.6A)
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)
 0.78A 4r38C-3ue6A:
18.9		 4r38C-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) 		6 CYH A 254
ARG A 255
GLN A 258
ILE A 274
GLY A 315
GLN A 317
 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)
 0.93A 4r38C-3ue6A:
18.9		 4r38C-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.
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
 1.11A 4r38C-3vh0A:
undetectable		 4r38C-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.
3w5i FERROUS IRON
TRANSPORT PROTEIN B

(Gallionella
capsiferriformans) 		PF02421
(FeoB_N) 		5 ALA A   5
ILE A   4
ASN A 114
LEU A  17
MET A  21
 None
 1.03A 4r38C-3w5iA:
undetectable		 4r38C-3w5iA:
22.33
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 ALA A 153
ALA A 103
ILE A 110
LEU A 308
GLY A 151
 None
 0.97A 4r38C-3wj2A:
undetectable		 4r38C-3wj2A:
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.
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
 1.17A 4r38C-3wv4A:
undetectable		 4r38C-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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ARG A 242
ILE A 288
LEU A 197
MET A 193
GLY A 194
 None
 1.19A 4r38C-4a01A:
undetectable		 4r38C-4a01A:
11.16
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.
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
 1.07A 4r38C-4avxA:
undetectable		 4r38C-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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A   6
ALA A 427
LEU A  26
MET A  28
GLY A  19
 None
 0.70A 4r38C-4c23A:
undetectable		 4r38C-4c23A:
15.95
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.
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
 0.91A 4r38C-4crmP:
undetectable		 4r38C-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
 1.11A 4r38C-4djfC:
undetectable		 4r38C-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)
 1.21A 4r38C-4ecfA:
undetectable		 4r38C-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) 		8 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 (-3.8A)
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)
 0.54A 4r38C-4eesA:
19.7		 4r38C-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) 		8 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 (-3.3A)
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)
 0.73A 4r38C-4gczA:
18.3		 4r38C-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
 1.18A 4r38C-4gpgA:
undetectable		 4r38C-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) 		7 ARG A 513
GLN A 516
ILE A 532
ASN A 544
ASN A 554
GLY A 573
GLN A 575
 FMN  A 701 (-2.6A)
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)
 0.68A 4r38C-4hhdA:
9.1		 4r38C-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) 		6 CYH A 512
ARG A 513
GLN A 516
ILE A 532
GLY A 573
GLN A 575
 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)
 0.90A 4r38C-4hhdA:
9.1		 4r38C-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) 		8 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 (-3.7A)
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)
 0.71A 4r38C-4hj3A:
15.4		 4r38C-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.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 ALA A 196
ALA A 262
ILE A 266
ASN A 144
GLY A 279
 FMN  A 401 ( 4.9A)
None
FMN  A 401 ( 4.7A)
NA  A 407 (-3.3A)
FMN  A 401 ( 3.9A)
 1.00A 4r38C-4iqlA:
undetectable		 4r38C-4iqlA:
17.17
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.
4nax GLUTATHIONE
S-TRANSFERASE,
N-TERMINAL DOMAIN
PROTEIN

(Pseudomonas
putida) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLN A 111
ALA A 181
ILE A 180
GLY A 102
GLN A 107
 None
 1.09A 4r38C-4naxA:
undetectable		 4r38C-4naxA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 4r38C-4nynA:
undetectable		 4r38C-4nynA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qko PYOCIN-S2

(Pseudomonas
aeruginosa) 		no annotation 5 ALA B 586
ALA B 593
ILE B 588
LEU B 621
GLN B 624
 None
 1.09A 4r38C-4qkoB:
undetectable		 4r38C-4qkoB:
25.68
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.
4qpc 10-FORMYLTETRAHYDROF
OLATE DEHYDROGENASE

(Danio rerio) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		5 ALA A 267
ALA A 233
ILE A 211
LEU A 288
GLY A 282
 None
 1.10A 4r38C-4qpcA:
undetectable		 4r38C-4qpcA:
23.74
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  87
 RBF  A 402 ( 2.9A)
RBF  A 402 (-3.4A)
RBF  A 402 ( 3.1A)
RBF  A 402 (-4.3A)
RBF  A 402 (-2.3A)
 1.01A 4r38C-4r3aA:
16.9		 4r38C-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) 		12 ALA A  23
CYH A  55
ARG A  56
GLN A  59
ALA A  72
ILE A  75
ASN A  87
ASN A  97
LEU A  99
MET A 101
GLY A 116
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 ( 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 (-3.2A)
RBF  A 402 ( 3.8A)
RBF  A 402 (-4.3A)
 0.33A 4r38C-4r3aA:
16.9		 4r38C-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)
 1.15A 4r38C-4r3aA:
16.9		 4r38C-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
 1.03A 4r38C-4r8eA:
undetectable		 4r38C-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
 1.14A 4r38C-4tkxL:
undetectable		 4r38C-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) 		8 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 (-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)
 0.75A 4r38C-4wujA:
15.4		 4r38C-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
 0.94A 4r38C-4wz9A:
undetectable		 4r38C-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.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		5 ILE A 181
ASN A 154
ASN A 152
LEU A 208
GLY A 145
 None
 1.21A 4r38C-4xfwA:
undetectable		 4r38C-4xfwA:
19.47
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 ARG A 288
GLN A 291
ILE A 307
ASN A 319
ASN A 329
GLY A 348
GLN A 350
 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)
 0.76A 4r38C-5a8bA:
17.7		 4r38C-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 CYH A 287
ARG A 288
GLN A 291
ILE A 307
GLY A 348
GLN A 350
 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)
 0.93A 4r38C-5a8bA:
17.7		 4r38C-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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 ALA A 355
ILE A 356
ASN A 378
LEU A 348
GLN A 374
 None
 1.14A 4r38C-5cjuA:
undetectable		 4r38C-5cjuA:
10.65
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.
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
 1.14A 4r38C-5cnxA:
undetectable		 4r38C-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) 		7 ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
GLY A 511
GLN A 513
 FMN  A 601 ( 3.8A)
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)
 0.58A 4r38C-5djuA:
17.4		 4r38C-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) 		7 ARG A 288
GLN A 291
ILE A 307
ASN A 319
ASN A 329
GLY A 348
GLN A 350
 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 4r38C-5dkkA:
17.6		 4r38C-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 CYH A 287
ARG A 288
GLN A 291
ILE A 307
GLY A 348
GLN A 350
 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)
 0.99A 4r38C-5dkkA:
17.6		 4r38C-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.
5e0z SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		PF03793
(PASTA) 		5 GLN A 503
ALA A 541
ILE A 497
LEU A 553
GLN A 509
 None
 1.13A 4r38C-5e0zA:
undetectable		 4r38C-5e0zA:
19.31
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.
5e12 SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		PF03793
(PASTA) 		5 GLN A 503
ALA A 541
ILE A 497
LEU A 553
GLN A 509
 None
 1.21A 4r38C-5e12A:
undetectable		 4r38C-5e12A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		5 ALA A 187
ALA A 118
ILE A 121
LEU A 141
MET A 139
 NA  A 403 (-4.3A)
None
None
None
None
 1.06A 4r38C-5ffnA:
undetectable		 4r38C-5ffnA:
19.40
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.
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
 0.84A 4r38C-5fmgH:
undetectable		 4r38C-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 4r38C-5g5gC:
undetectable		 4r38C-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) 		7 ARG A  98
GLN A 101
ILE A 117
ASN A 129
ASN A 139
GLY A 158
GLN A 160
 FMN  A 402 (-3.3A)
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 4r38C-5hzhA:
17.4		 4r38C-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) 		7 ARG B1356
GLN B1359
ILE B1375
ASN B1387
ASN B1397
GLY B1416
GLN B1418
 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)
 0.73A 4r38C-5hzkB:
17.9		 4r38C-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 CYH B1355
ARG B1356
GLN B1359
ILE B1375
GLY B1416
GLN B1418
 FMN  B1801 (-3.5A)
FMN  B1801 (-3.9A)
FMN  B1801 (-3.0A)
FMN  B1801 (-4.9A)
FMN  B1801 (-3.7A)
FMN  B1801 (-3.7A)
 1.01A 4r38C-5hzkB:
17.9		 4r38C-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)
 0.58A 4r38C-5j3wA:
17.2		 4r38C-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
 1.00A 4r38C-5j6sA:
undetectable		 4r38C-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.
5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ALA A 104
ALA A 122
ILE A  76
LEU A 144
GLY A 109
 None
 1.21A 4r38C-5jsyA:
undetectable		 4r38C-5jsyA:
19.68
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 ALA A 575
ILE A 574
ASN A 489
MET A 481
GLY A 480
 None
 0.99A 4r38C-5m41A:
undetectable		 4r38C-5m41A:
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.
5nus P34

(Chaetomium
thermophilum) 		no annotation 5 ALA A 157
ALA A 233
ILE A 232
ASN A  66
GLN A  67
 None
 1.11A 4r38C-5nusA:
undetectable		 4r38C-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 8 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 (-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)
 0.95A 4r38C-5svwB:
17.5		 4r38C-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 8 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 (-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)
 0.66A 4r38C-5svwB:
17.5		 4r38C-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.
5xnp LEUCINE-RICH REPEAT
AND FIBRONECTIN
TYPE-III
DOMAIN-CONTAINING
PROTEIN 5
RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Homo sapiens) 		no annotation 5 ALA D 182
ALA A 359
ILE A 358
MET D 130
GLY D 131
 None
 1.13A 4r38C-5xnpD:
undetectable		 4r38C-5xnpD:
24.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6at7 PHENYLALANINE
AMMONIA-LYASE

(Sorghum bicolor) 		no annotation 5 ALA A 489
ILE A 492
LEU A 456
GLY A 407
GLN A 457
 None
 1.21A 4r38C-6at7A:
undetectable		 4r38C-6at7A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 5 ALA A 276
ALA A 340
ILE A 339
GLY A 353
GLN A 388
 None
 0.94A 4r38C-6bv2A:
undetectable		 4r38C-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)
 1.12A 4r38C-6gbvA:
18.5		 4r38C-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 ARG A  73
ASN A 104
ASN A 114
LEU A 116
GLY A 133
GLN A 135
 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)
 0.67A 4r38C-6gbvA:
18.5		 4r38C-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 5 ARG A  73
GLN A  76
ASN A 104
GLY A 133
GLN A 135
 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)
 0.93A 4r38C-6gbvA:
18.5		 4r38C-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 CYH A  72
ARG A  73
ASN A 104
LEU A 116
GLY A 133
GLN A 135
 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)
 0.96A 4r38C-6gbvA:
18.5		 4r38C-6gbvA:
undetectable