SIMILAR PATTERNS OF AMINO ACIDS FOR 4R3A_A_RBFA402

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.
1aha ALPHA-MOMORCHARIN

(Momordica
charantia) 		PF00161
(RIP) 		5 ALA A 150
ALA A  76
ILE A  60
ILE A 103
LEU A 105
 None
 1.17A 4r3aA-1ahaA:
undetectable		 4r3aA-1ahaA:
21.75
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 ALA A 427
GLN A 413
ALA A 420
ILE A 316
ASN A 233
 None
 1.19A 4r3aA-1c2oA:
undetectable		 4r3aA-1c2oA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		5 ALA A  28
ARG A 728
ALA A 735
ILE A 698
LEU A 691
 None
 1.18A 4r3aA-1j1wA:
undetectable		 4r3aA-1j1wA:
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.
1jnu PHY3 PROTEIN

(Adiantum
capillus-veneris) 		PF13426
(PAS_9) 		6 CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLN A1029
 FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.1A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-4.2A)
 0.52A 4r3aA-1jnuA:
15.4		 4r3aA-1jnuA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ls4 APOLIPOPHORIN-III

(Locusta
migratoria) 		no annotation 5 ALA A  91
GLN A  47
ALA A 147
ILE A 155
LEU A  28
 None
 1.17A 4r3aA-1ls4A:
undetectable		 4r3aA-1ls4A:
18.68
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.
1n9l PUTATIVE BLUE LIGHT
RECEPTOR

(Chlamydomonas
reinhardtii) 		PF13426
(PAS_9) 		9 ALA A  25
CYH A  57
ARG A  58
GLN A  61
ILE A  77
ASN A  89
ASN A  99
LEU A 101
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 (-3.7A)
 0.42A 4r3aA-1n9lA:
15.9		 4r3aA-1n9lA:
21.51
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 GLN A 247
ALA A 643
ILE A 510
ASN A 513
LEU A 577
 None
 1.18A 4r3aA-1qhoA:
undetectable		 4r3aA-1qhoA:
18.55
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.
1r71 TRANSCRIPTIONAL
REPRESSOR PROTEIN
KORB

(Escherichia
coli) 		PF08535
(KorB) 		5 ALA A 175
ALA A 158
ILE A 161
ASN A 150
GLN A 148
 None
 1.08A 4r3aA-1r71A:
undetectable		 4r3aA-1r71A:
21.08
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.
1rhy IMIDAZOLE GLYCEROL
PHOSPHATE
DEHYDRATASE

(Cryptococcus
neoformans) 		PF00475
(IGPD) 		5 GLN A  32
ALA A 178
ILE A 181
ILE A  34
LEU A  58
 None
 1.19A 4r3aA-1rhyA:
undetectable		 4r3aA-1rhyA:
21.51
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 ALA A 401
ALA A 418
ILE A 419
ILE A 409
LEU A 405
 None
 0.90A 4r3aA-1s0uA:
undetectable		 4r3aA-1s0uA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		5 ALA A1125
ALA A1071
ILE A1057
LEU A1097
MET A1101
 None
 1.18A 4r3aA-1urjA:
undetectable		 4r3aA-1urjA:
15.79
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.
1ux4 BNI1 PROTEIN

(Saccharomyces
cerevisiae) 		PF02181
(FH2) 		5 GLN A1744
ILE A1737
ASN A1747
ASN A1611
LEU A1610
 None
 1.18A 4r3aA-1ux4A:
undetectable		 4r3aA-1ux4A:
25.33
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.
1v9w PUTATIVE 42-9-9
PROTEIN

(Mus musculus) 		PF06110
(DUF953) 		5 ALA A  25
CYH A  76
ILE A  34
ILE A  97
LEU A  95
 None
 1.15A 4r3aA-1v9wA:
undetectable		 4r3aA-1v9wA:
15.91
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.
1wue MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A1107
ALA A1300
ILE A1348
ILE A1328
LEU A1352
 None
 1.21A 4r3aA-1wueA:
undetectable		 4r3aA-1wueA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2am2 UDP-N-ACETYLMURAMOYL
ALANINE-D-GLUTAMYL-L
YSINE-D-ALANYL-D-ALA
NINE LIGASE, MURF
PROTEIN

(Streptococcus
pneumoniae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 397
ALA A 355
ILE A 390
ILE A 335
LEU A 336
 None
 1.20A 4r3aA-2am2A:
undetectable		 4r3aA-2am2A:
22.18
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 ALA A 109
ALA A 317
ILE A 318
ILE A 330
ASN A 331
 None
 1.05A 4r3aA-2cy8A:
undetectable		 4r3aA-2cy8A:
22.86
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.
2db0 253AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF02985
(HEAT) 		5 ALA A  60
ALA A  52
ILE A  90
LEU A  74
MET A  70
 None
 1.18A 4r3aA-2db0A:
undetectable		 4r3aA-2db0A:
20.60
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.
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
 1.02A 4r3aA-2gkoA:
undetectable		 4r3aA-2gkoA:
23.87
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.
2icp ANTITOXIN HIGA

(Escherichia
coli) 		PF01381
(HTH_3) 		6 ALA A  46
ALA A  28
ILE A  33
ILE A  60
LEU A  56
MET A  52
 None
None
MG  A5001 ( 4.3A)
None
None
None
 1.23A 4r3aA-2icpA:
undetectable		 4r3aA-2icpA:
16.18
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.
2jgr YEGS

(Escherichia
coli) 		PF00781
(DAGK_cat) 		5 ALA A 100
ILE A 105
ILE A 216
ASN A 217
LEU A 298
 None
 1.20A 4r3aA-2jgrA:
undetectable		 4r3aA-2jgrA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		6 CYH A  62
ARG A  63
ASN A  94
ASN A 104
LEU A 106
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 (-4.3A)
FMN  A 900 (-4.2A)
 1.17A 4r3aA-2mwgA:
12.2		 4r3aA-2mwgA:
29.94
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 CYH A  62
GLN A  66
ILE A  92
ASN A  94
ASN A 104
LEU A 106
GLN A 123
 FMN  A 900 (-3.3A)
FMN  A 900 (-2.6A)
FMN  A 900 ( 4.1A)
FMN  A 900 (-2.9A)
FMN  A 900 (-3.9A)
FMN  A 900 (-4.3A)
FMN  A 900 (-4.2A)
 0.57A 4r3aA-2mwgA:
12.2		 4r3aA-2mwgA:
29.94
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.
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
 1.04A 4r3aA-2pgeA:
undetectable		 4r3aA-2pgeA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pr5 BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF13426
(PAS_9) 		5 ALA A  81
ILE A  92
ASN A 104
LEU A 106
GLN A 123
 None
FMN  A 500 ( 4.6A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
 1.20A 4r3aA-2pr5A:
15.2		 4r3aA-2pr5A:
19.76
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.
2pr5 BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF13426
(PAS_9) 		8 CYH A  62
ARG A  63
GLN A  66
ILE A  92
ASN A  94
ASN A 104
LEU A 106
GLN A 123
 FMN  A 500 (-3.5A)
FMN  A 500 (-3.8A)
FMN  A 500 (-3.1A)
FMN  A 500 ( 4.6A)
FMN  A 500 (-3.1A)
FMN  A 500 (-3.7A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
 0.43A 4r3aA-2pr5A:
15.2		 4r3aA-2pr5A:
19.76
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		5 GLN A 242
ALA A  50
ILE A  52
ASN A 245
LEU A  34
 None
 1.22A 4r3aA-2v8nA:
undetectable		 4r3aA-2v8nA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		6 ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
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 (-3.8A)
 0.54A 4r3aA-2wkpA:
18.3		 4r3aA-2wkpA:
26.65
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.
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
ASN A 482
ASN A 492
GLN A 513
 FMN  A1725 (-3.4A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.1A)
FMN  A1725 (-3.0A)
FMN  A1725 (-3.8A)
FMN  A1725 (-3.8A)
 0.89A 4r3aA-2wkpA:
18.3		 4r3aA-2wkpA:
26.65
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.
2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 ALA A 323
GLN A 313
ILE A 275
ILE A 377
LEU A 386
 None
 1.10A 4r3aA-2xdfA:
undetectable		 4r3aA-2xdfA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6c PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		5 ALA A 248
ILE A 264
ASN A 266
ASN A 276
LEU A 278
 None
None
FMN  A 500 (-3.0A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.3A)
 0.87A 4r3aA-2z6cA:
14.7		 4r3aA-2z6cA:
17.33
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.
2z6c PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		8 CYH A 234
ARG A 235
GLN A 238
ILE A 264
ASN A 266
ASN A 276
LEU A 278
GLN A 297
 FMN  A 500 (-3.4A)
FMN  A 500 (-3.9A)
FMN  A 500 (-3.0A)
None
FMN  A 500 (-3.0A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.6A)
 0.68A 4r3aA-2z6cA:
14.7		 4r3aA-2z6cA:
17.33
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.
2z6d PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		7 CYH A 170
ARG A 171
GLN A 174
ASN A 202
ASN A 212
LEU A 214
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 (-3.8A)
 0.32A 4r3aA-2z6dA:
15.2		 4r3aA-2z6dA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.00A 4r3aA-2z6dA:
15.2		 4r3aA-2z6dA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 ALA A 374
ARG A 154
ALA A 126
ILE A 140
LEU A 269
 None
 1.19A 4r3aA-3b1bA:
undetectable		 4r3aA-3b1bA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdk SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
A

(Bacillus
subtilis) 		PF01144
(CoA_trans) 		5 ALA A  14
ALA A  25
ILE A 155
ILE A  72
LEU A  49
 None
 1.01A 4r3aA-3cdkA:
undetectable		 4r3aA-3cdkA:
24.18
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
 1.04A 4r3aA-3d43A:
undetectable		 4r3aA-3d43A:
23.14
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 902
ALA A 667
ILE A 437
ASN A 441
ASN A 438
 None
 1.18A 4r3aA-3hmjA:
2.1		 4r3aA-3hmjA:
11.14
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ALA A 248
ALA A 179
ILE A 178
LEU A 254
MET A 238
 None
 1.06A 4r3aA-3i3yA:
undetectable		 4r3aA-3i3yA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3imk PUTATIVE MOLYBDENUM
CARRIER PROTEIN

(Syntrophus
aciditrophicus) 		PF12694
(MoCo_carrier) 		5 ALA A 115
ALA A  18
ILE A  79
ILE A  10
LEU A 131
 None
 1.20A 4r3aA-3imkA:
undetectable		 4r3aA-3imkA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		5 ALA A 310
ILE A 342
ILE A  35
LEU A  13
GLN A  14
 None
 1.05A 4r3aA-3loyA:
undetectable		 4r3aA-3loyA:
22.32
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.
3mtk DIGUANYLATE
CYCLASE/PHOSPHODIEST
ERASE

(Caldicellulosiruptor
saccharolyticus) 		PF00990
(GGDEF) 		5 ALA A 264
ILE A 274
ILE A 250
LEU A 292
MET A 288
 None
 1.20A 4r3aA-3mtkA:
2.1		 4r3aA-3mtkA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n01 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE-LIKE N

(Homo sapiens) 		PF11548
(Receptor_IA-2) 		5 ALA A 534
ILE A 518
ASN A 521
LEU A 525
GLN A 523
 None
 1.16A 4r3aA-3n01A:
undetectable		 4r3aA-3n01A:
16.96
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		6 CYH A  75
ARG A  76
ILE A 105
ASN A 107
ASN A 117
GLN A 138
 FMN  A 500 (-3.3A)
FMN  A 500 (-3.8A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.1A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.9A)
 0.48A 4r3aA-3p7nA:
14.7		 4r3aA-3p7nA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 ALA A 211
ILE A 212
ILE A 239
ASN A 236
LEU A 235
 None
 1.09A 4r3aA-3q3hA:
undetectable		 4r3aA-3q3hA:
20.16
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.
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)
 1.21A 4r3aA-3rh8B:
12.7		 4r3aA-3rh8B:
17.13
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.
3rh8 VIVID PAS PROTEIN
VVD

(Neurospora
crassa) 		PF13426
(PAS_9) 		8 CYH B 108
ARG B 109
GLN B 112
ILE B 139
ASN B 151
ASN B 161
LEU B 163
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 (-4.1A)
 0.63A 4r3aA-3rh8B:
12.7		 4r3aA-3rh8B:
17.13
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.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		5 ALA A  84
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 None
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 1.09A 4r3aA-3t50A:
15.7		 4r3aA-3t50A:
17.58
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.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		8 ARG A  70
GLN A  73
ILE A  89
ILE A  99
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 ( 4.4A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.54A 4r3aA-3t50A:
15.7		 4r3aA-3t50A:
17.58
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.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		8 CYH A  69
ARG A  70
GLN A  73
ILE A  99
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.71A 4r3aA-3t50A:
15.7		 4r3aA-3t50A:
17.58
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.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 ALA B 428
GLN B 402
ILE B 404
ASN B 372
LEU B 376
 None
 1.10A 4r3aA-3u9rB:
undetectable		 4r3aA-3u9rB:
22.93
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.
3ue6 AUREOCHROME1

(Vaucheria
frigida) 		PF13426
(PAS_9) 		7 CYH A 254
ARG A 255
GLN A 258
ILE A 274
ASN A 286
ASN A 296
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 (-3.3A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.1A)
 0.82A 4r3aA-3ue6A:
15.1		 4r3aA-3ue6A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 4r3aA-3w5iA:
undetectable		 4r3aA-3w5iA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ALA A 192
ARG A 335
ALA A 269
ILE A 268
LEU A 224
 None
 0.99A 4r3aA-4bziA:
undetectable		 4r3aA-4bziA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		5 ALA A 124
ILE A 138
ILE A 534
LEU A 165
GLN A 134
 None
 1.19A 4r3aA-4cagA:
undetectable		 4r3aA-4cagA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 ALA A 616
ILE A 633
ASN A 655
ASN A 631
LEU A 610
 None
 1.19A 4r3aA-4ecoA:
undetectable		 4r3aA-4ecoA:
20.66
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.
4ees PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		7 ARG A 427
GLN A 430
ILE A 446
ASN A 458
ASN A 468
LEU A 470
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 (-3.9A)
 0.47A 4r3aA-4eesA:
15.7		 4r3aA-4eesA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 306
ALA A 358
ILE A 361
ILE A 345
LEU A 342
 None
 1.05A 4r3aA-4fsfA:
3.1		 4r3aA-4fsfA:
23.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
ILE A  92
ASN A  94
ASN A 104
LEU A 106
GLN A 123
 FMN  A 401 (-3.3A)
FMN  A 401 (-3.9A)
FMN  A 401 (-3.2A)
FMN  A 401 ( 4.6A)
FMN  A 401 (-3.1A)
FMN  A 401 (-3.7A)
FMN  A 401 (-4.3A)
FMN  A 401 (-3.8A)
 0.65A 4r3aA-4gczA:
15.1		 4r3aA-4gczA:
31.44
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 ALA B 260
GLN B 157
ALA B   8
ILE B   9
ILE B 160
 None
 0.98A 4r3aA-4hdsB:
undetectable		 4r3aA-4hdsB:
23.79
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.
4hhd PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		7 CYH A 512
ARG A 513
GLN A 516
ILE A 532
ASN A 544
ASN A 554
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 (-2.8A)
FMN  A 701 (-3.8A)
FMN  A 701 (-3.6A)
 0.78A 4r3aA-4hhdA:
16.7		 4r3aA-4hhdA:
20.51
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.
4hj3 LOV PROTEIN

(Rhodobacter
sphaeroides) 		PF13426
(PAS_9) 		7 CYH A  55
ARG A  56
GLN A  59
ASN A  87
ASN A  97
LEU A  99
GLN A 118
 FMN  A 201 (-3.7A)
FMN  A 201 (-3.4A)
FMN  A 201 (-3.6A)
FMN  A 201 (-2.9A)
FMN  A 201 (-3.8A)
FMN  A 201 (-4.4A)
FMN  A 201 (-3.8A)
 0.77A 4r3aA-4hj3A:
14.8		 4r3aA-4hj3A:
24.29
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.
4kds PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Oncorhynchus
mykiss) 		PF00079
(Serpin) 		5 ALA A 335
ILE A 336
ILE A 303
LEU A 309
GLN A 307
 None
 1.07A 4r3aA-4kdsA:
undetectable		 4r3aA-4kdsA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mp3 PUTATIVE ORNITHINE
CYCLODEAMINASE

(Staphylococcus
aureus) 		PF02423
(OCD_Mu_crystall) 		5 ALA A  27
ALA A  73
ILE A  68
ILE A 110
LEU A 101
 None
 1.08A 4r3aA-4mp3A:
undetectable		 4r3aA-4mp3A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0p PILUS ASSEMBLY
PROTEIN CPAE

(Caulobacter
vibrioides) 		no annotation 5 ALA A 146
ILE A 142
ILE A 127
LEU A 178
MET A 180
 None
 1.19A 4r3aA-4n0pA:
undetectable		 4r3aA-4n0pA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oou BETA-1,4-MANNANASE

(Cryptopygus
antarcticus) 		no annotation 5 ALA B 266
ILE B 222
ILE B 156
ASN B 153
LEU B 152
 None
 1.09A 4r3aA-4oouB:
undetectable		 4r3aA-4oouB:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qko PYOCIN-S2

(Pseudomonas
aeruginosa) 		no annotation 5 ALA B 586
ALA B 593
ILE B 588
LEU B 621
GLN B 624
 None
 1.17A 4r3aA-4qkoB:
undetectable		 4r3aA-4qkoB:
17.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r38 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF13426
(PAS_9) 		6 ALA A  23
CYH A  55
ALA A  72
ILE A  75
ILE A  85
ASN A  87
 RBF  A 201 ( 3.4A)
RBF  A 201 (-3.3A)
RBF  A 201 ( 3.3A)
RBF  A 201 (-4.2A)
RBF  A 201 ( 4.2A)
RBF  A 201 (-2.4A)
 1.35A 4r3aA-4r38A:
17.0		 4r3aA-4r38A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r38 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF13426
(PAS_9) 		12 ALA A  23
CYH A  55
ARG A  56
GLN A  59
ALA A  72
ILE A  75
ILE A  85
ASN A  87
ASN A  97
LEU A  99
MET A 101
GLN A 118
 RBF  A 201 ( 3.4A)
RBF  A 201 (-3.3A)
RBF  A 201 (-3.7A)
RBF  A 201 (-3.0A)
RBF  A 201 ( 3.3A)
RBF  A 201 (-4.2A)
RBF  A 201 ( 4.2A)
RBF  A 201 (-2.4A)
RBF  A 201 (-3.7A)
RBF  A 201 (-4.2A)
RBF  A 201 (-3.2A)
RBF  A 201 (-4.0A)
 0.34A 4r3aA-4r38A:
17.0		 4r3aA-4r38A:
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.
4rm4 CYTOCHROME P450

(Bacillus
subtilis) 		PF00067
(p450) 		5 ALA A 286
ILE A 386
ILE A  82
ASN A  83
ASN A  79
 HEM  A 401 ( 4.5A)
None
HEM  A 401 (-4.0A)
None
None
 1.18A 4r3aA-4rm4A:
undetectable		 4r3aA-4rm4A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u09 LIC12759

(Leptospira
interrogans) 		PF13855
(LRR_8) 		5 ALA A  34
ILE A  78
ASN A  74
LEU A  53
GLN A  51
 None
 1.19A 4r3aA-4u09A:
undetectable		 4r3aA-4u09A:
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.
4u09 LIC12759

(Leptospira
interrogans) 		PF13855
(LRR_8) 		5 ALA A  36
ILE A  78
ASN A  74
LEU A  53
GLN A  51
 None
 0.99A 4r3aA-4u09A:
undetectable		 4r3aA-4u09A:
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.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		6 ALA A 200
ILE A 161
ILE A 171
ASN A 173
ASN A 183
GLN A 204
 FMN  A5201 (-2.8A)
FMN  A5201 (-3.8A)
FMN  A5201 ( 4.4A)
FMN  A5201 (-2.4A)
FMN  A5201 (-4.1A)
FMN  A5201 (-3.7A)
 1.23A 4r3aA-4wujA:
12.0		 4r3aA-4wujA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
ILE A 171
ASN A 173
ASN A 183
GLN A 204
 FMN  A5201 (-3.5A)
FMN  A5201 (-3.7A)
FMN  A5201 (-3.1A)
FMN  A5201 (-3.8A)
FMN  A5201 ( 4.4A)
FMN  A5201 (-2.4A)
FMN  A5201 (-4.1A)
FMN  A5201 (-3.7A)
 0.70A 4r3aA-4wujA:
12.0		 4r3aA-4wujA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 264
ALA A 323
ILE A 322
ILE A 364
GLN A 371
 None
 1.13A 4r3aA-4wz9A:
undetectable		 4r3aA-4wz9A:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgq RIBONUCLEASE VAPC30

(Mycobacterium
tuberculosis) 		PF01850
(PIN) 		5 ALA A  64
ALA A   7
ILE A   3
ILE A  45
LEU A  57
 None
 1.19A 4r3aA-4xgqA:
undetectable		 4r3aA-4xgqA:
19.54
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 CYH A 972
ALA A1026
ILE A1030
ILE A 980
LEU A 499
 None
 1.02A 4r3aA-5a22A:
undetectable		 4r3aA-5a22A:
10.29
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.
5a8b PTAUREO1A LOV2
DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		6 ARG A 288
GLN A 291
ILE A 307
ASN A 319
ASN A 329
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 (-3.9A)
 0.57A 4r3aA-5a8bA:
14.1		 4r3aA-5a8bA:
18.68
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.
5a8b PTAUREO1A LOV2
DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		6 CYH A 287
ARG A 288
GLN A 291
ILE A 307
ASN A 319
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 (-3.0A)
FMN  A 500 (-3.9A)
 0.85A 4r3aA-5a8bA:
14.1		 4r3aA-5a8bA:
18.68
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.
5bpv POLYMERASE COFACTOR
VP35

(Zaire
ebolavirus) 		PF02097
(Filo_VP35) 		5 ALA A 276
ILE A 246
ILE A 219
MET A 228
GLN A 264
 None
 1.21A 4r3aA-5bpvA:
undetectable		 4r3aA-5bpvA:
18.18
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.
5c2i ALR1585 PROTEIN

(Nostoc sp. PCC
7120) 		PF04261
(Dyp_perox) 		5 ARG A 268
GLN A 271
ALA A 294
ILE A 289
LEU A 421
 None
None
None
None
HEM  A 501 (-4.9A)
 1.22A 4r3aA-5c2iA:
undetectable		 4r3aA-5c2iA:
21.38
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.
5dju NPH1-2

(Avena sativa) 		PF13426
(PAS_9) 		6 ARG A 451
GLN A 454
ILE A 470
ASN A 482
ASN A 492
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)
 0.51A 4r3aA-5djuA:
18.2		 4r3aA-5djuA:
21.18
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.
5dkk LOV DOMAIN

(Phaeodactylum
tricornutum) 		PF13426
(PAS_9) 		7 CYH A 287
ARG A 288
GLN A 291
ILE A 307
ASN A 319
ASN A 329
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 (-3.0A)
FMN  A 401 (-4.1A)
FMN  A 401 (-3.8A)
 0.87A 4r3aA-5dkkA:
14.4		 4r3aA-5dkkA:
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.
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
 1.12A 4r3aA-5ffnA:
undetectable		 4r3aA-5ffnA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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) 		6 ARG A  98
GLN A 101
ILE A 117
ASN A 129
ASN A 139
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 (-3.6A)
 0.45A 4r3aA-5hzhA:
18.5		 4r3aA-5hzhA:
26.18
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		6 ARG B1356
GLN B1359
ILE B1375
ASN B1387
ASN B1397
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)
 0.60A 4r3aA-5hzkB:
18.7		 4r3aA-5hzkB:
26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 CYH B1355
ARG B1356
GLN B1359
ASN B1387
GLN B1418
 FMN  B1801 (-3.5A)
FMN  B1801 (-3.9A)
FMN  B1801 (-3.0A)
FMN  B1801 (-3.0A)
FMN  B1801 (-3.7A)
 1.01A 4r3aA-5hzkB:
18.7		 4r3aA-5hzkB:
26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j3w SENSORY BOX PROTEIN

(Pseudomonas
putida) 		PF13426
(PAS_9) 		8 ALA A  21
CYH A  53
ARG A  54
GLN A  57
ASN A  85
ASN A  95
LEU A  97
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 (-4.5A)
 0.60A 4r3aA-5j3wA:
13.9		 4r3aA-5j3wA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j3w SENSORY BOX PROTEIN

(Pseudomonas
putida) 		PF13426
(PAS_9) 		5 GLN A  57
ALA A  67
ASN A  85
ASN A  95
LEU A  97
 FMN  A 500 (-4.0A)
None
FMN  A 500 (-3.0A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.2A)
 0.93A 4r3aA-5j3wA:
13.9		 4r3aA-5j3wA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 5 ALA B 124
ALA B 220
ILE B 182
LEU B 181
MET B 147
 None
 1.07A 4r3aA-5ltmB:
undetectable		 4r3aA-5ltmB:
22.44
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.
5mfb YIII(DQ)4CQI

(synthetic
construct) 		PF00514
(Arm) 		5 ALA A 180
ALA A 204
ILE A 203
ASN A 169
ASN A 210
 None
 1.09A 4r3aA-5mfbA:
undetectable		 4r3aA-5mfbA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4r3aA-5nusA:
undetectable		 4r3aA-5nusA:
23.08
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.
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)
 0.98A 4r3aA-5svwB:
15.0		 4r3aA-5svwB:
19.60
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 ALA A1618
ILE A1225
ILE A1267
LEU A1264
MET A1260
 None
 1.17A 4r3aA-5u1sA:
undetectable		 4r3aA-5u1sA:
11.91
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.
5xjn CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		5 ALA A 126
GLN A 385
ILE A 177
ILE A 139
LEU A 135
 None
 1.15A 4r3aA-5xjnA:
undetectable		 4r3aA-5xjnA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xu1 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 GLN A 151
ALA A 168
ILE A 166
ILE A 183
LEU A 186
 None
 1.10A 4r3aA-5xu1A:
undetectable		 4r3aA-5xu1A:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 5 GLN A 280
ILE A 259
ILE A 286
LEU A 247
MET A  53
 None
None
GOL  A 606 ( 4.6A)
None
None
 1.11A 4r3aA-6dd3A:
undetectable		 4r3aA-6dd3A:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ezm IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Saccharomyces
cerevisiae) 		no annotation 5 GLN U  51
ALA U 197
ILE U 200
ILE U  53
LEU U  77
 None
 1.19A 4r3aA-6ezmU:
undetectable		 4r3aA-6ezmU:
14.65
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.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 5 CYH A  72
ARG A  73
GLN A  76
ASN A 104
GLN A 135
 FMN  A 500 (-3.7A)
FMN  A 500 (-4.5A)
FMN  A 500 (-4.2A)
FMN  A 500 (-3.0A)
FMN  A 500 (-3.8A)
 1.14A 4r3aA-6gbvA:
14.4		 4r3aA-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 CYH A  72
ARG A  73
ILE A 102
ASN A 104
ASN A 114
LEU A 116
GLN A 135
 FMN  A 500 (-3.7A)
FMN  A 500 (-4.5A)
FMN  A 500 ( 4.3A)
FMN  A 500 (-3.0A)
FMN  A 500 (-4.0A)
FMN  A 500 (-4.1A)
FMN  A 500 (-3.8A)
 0.76A 4r3aA-6gbvA:
14.4		 4r3aA-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.
1a6d THERMOSOME (ALPHA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		4 GLU A 450
LEU A 102
LEU A  42
GLY A 409
 None
 0.79A 4r3aA-1a6dA:
0.7		 4r3aA-1a6dA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 ASN A 487
LEU A 270
VAL A  34
GLY A  54
 None
 0.91A 4r3aA-1b2hA:
1.0		 4r3aA-1b2hA:
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.
1b9k PROTEIN
(ALPHA-ADAPTIN
APPENDAGE DOMAIN)

(Mus musculus) 		PF02296
(Alpha_adaptin_C)
PF02883
(Alpha_adaptinC2) 		4 THR A 810
LEU A 721
VAL A 777
GLY A 809
 None
 0.88A 4r3aA-1b9kA:
1.6		 4r3aA-1b9kA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bdg HEXOKINASE

(Schistosoma
mansoni) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 THR A 232
GLU A 304
ASN A 332
LEU A 286
 SO4  A 502 (-3.6A)
None
None
None
 0.87A 4r3aA-1bdgA:
0.3		 4r3aA-1bdgA:
22.68
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.
1bkd SON OF SEVENLESS-1

(Homo sapiens) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		4 GLU S 792
LEU S 919
LEU S 872
GLY S 931
 None
 0.83A 4r3aA-1bkdS:
undetectable		 4r3aA-1bkdS:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bqc PROTEIN
(BETA-MANNANASE)

(Thermobifida
fusca) 		PF00150
(Cellulase) 		4 THR A  48
GLU A  84
ASN A 124
GLY A  23
 None
 0.85A 4r3aA-1bqcA:
undetectable		 4r3aA-1bqcA:
22.46
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.
1bwd PROTEIN
(INOSAMINE-PHOSPHATE
AMIDINOTRANSFERASE)

(Streptomyces
griseus) 		no annotation 4 THR A 116
VAL A 216
LEU A 190
GLY A 114
 None
 0.91A 4r3aA-1bwdA:
undetectable		 4r3aA-1bwdA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 GLU A 207
ASN A 219
LEU A 188
VAL A 175
GLY A 215
 None
 1.19A 4r3aA-1c3rA:
undetectable		 4r3aA-1c3rA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		4 GLU A 207
ASN A 219
VAL A 175
GLY A 213
 None
 0.77A 4r3aA-1c3rA:
undetectable		 4r3aA-1c3rA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dhs DEOXYHYPUSINE
SYNTHASE

(Homo sapiens) 		PF01916
(DS) 		4 THR A  52
GLU A  47
VAL A  40
GLY A  33
 None
 0.91A 4r3aA-1dhsA:
0.0		 4r3aA-1dhsA:
22.75
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.
1drt CLAVAMINATE SYNTHASE
1

(Streptomyces
clavuligerus) 		PF02668
(TauD) 		4 GLU A  95
LEU A  13
LEU A  20
GLY A 102
 None
 0.86A 4r3aA-1drtA:
undetectable		 4r3aA-1drtA:
21.41
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		4 GLU A 265
VAL A 257
LEU A 260
GLY A 275
 None
 0.90A 4r3aA-1e19A:
undetectable		 4r3aA-1e19A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3j NADP(H)-DEPENDENT
KETOSE REDUCTASE

(Bemisia
argentifolii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A 151
VAL A 183
LEU A 186
GLY A 311
 None
 0.81A 4r3aA-1e3jA:
undetectable		 4r3aA-1e3jA:
23.31
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.
1e9y UREASE SUBUNIT ALPHA

(Helicobacter
pylori) 		PF00547
(Urease_gamma)
PF00699
(Urease_beta) 		4 LEU A  64
VAL A  70
LEU A  30
GLY A  17
 None
 0.83A 4r3aA-1e9yA:
undetectable		 4r3aA-1e9yA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ee0 2-PYRONE SYNTHASE

(Gerbera hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 THR A  23
GLU A 121
LEU A 235
LEU A 124
GLY A 230
 None
 1.26A 4r3aA-1ee0A:
undetectable		 4r3aA-1ee0A:
22.54
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.
1exf EXFOLIATVE TOXIN A

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 THR A  43
LEU A 138
VAL A 210
LEU A 209
GLY A  44
 None
 1.30A 4r3aA-1exfA:
undetectable		 4r3aA-1exfA:
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.
1f5q GAMMA HERPESVIRUS
CYCLIN

(Murid
gammaherpesvirus
4) 		PF00134
(Cyclin_N) 		4 GLU B  89
ASN B  90
LEU B 129
GLY B 122
 None
 0.77A 4r3aA-1f5qB:
undetectable		 4r3aA-1f5qB:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		4 THR A 278
GLU A 272
PHE A 274
GLY A 267
 None
 0.84A 4r3aA-1fw8A:
undetectable		 4r3aA-1fw8A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8w LEUCOAGGLUTINATING
PHYTOHEMAGGLUTININ

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		4 ASN A  15
VAL A  24
LEU A  30
GLY A 206
 None
 0.90A 4r3aA-1g8wA:
undetectable		 4r3aA-1g8wA:
23.75
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ASN A 228
VAL A 215
LEU A 225
PHE A 196
GLY A 174
 None
None
None
None
NAD  A 452 (-3.2A)
 1.43A 4r3aA-1geuA:
undetectable		 4r3aA-1geuA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		4 GLU A  12
LEU A   3
LEU A 175
GLY A  49
 None
 0.76A 4r3aA-1gjuA:
undetectable		 4r3aA-1gjuA:
22.68
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		4 LEU A 115
VAL A 130
LEU A 133
GLY A 107
 None
 0.82A 4r3aA-1hcuA:
undetectable		 4r3aA-1hcuA:
20.35
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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		4 GLU A 141
LEU A 132
VAL A  83
GLY A 145
 None
 0.77A 4r3aA-1iy8A:
undetectable		 4r3aA-1iy8A:
23.31
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 VAL A 439
LEU A 442
PHE A 379
GLY A 382
 None
 0.86A 4r3aA-1j0hA:
undetectable		 4r3aA-1j0hA:
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.
1j31 HYPOTHETICAL PROTEIN
PH0642

(Pyrococcus
horikoshii) 		PF00795
(CN_hydrolase) 		5 THR A  46
GLU A  51
LEU A  95
VAL A 122
GLY A  47
 None
 1.50A 4r3aA-1j31A:
undetectable		 4r3aA-1j31A:
22.38
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.
1jnu PHY3 PROTEIN

(Adiantum
capillus-veneris) 		PF13426
(PAS_9) 		5 ASN A 965
LEU A 969
VAL A 979
PHE A1025
GLY A1027
 FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 ( 4.9A)
FMN  A1033 ( 4.6A)
FMN  A1033 (-3.7A)
 0.61A 4r3aA-1jnuA:
15.4		 4r3aA-1jnuA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jzt HYPOTHETICAL 27.5
KDA PROTEIN IN
SPX19-GCR2
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF03853
(YjeF_N) 		4 LEU A 195
VAL A 137
PHE A 141
GLY A 177
 None
 0.86A 4r3aA-1jztA:
undetectable		 4r3aA-1jztA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lu4 SOLUBLE SECRETED
ANTIGEN MPT53

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 LEU A1029
VAL A1131
LEU A1134
GLY A1110
 None
 0.74A 4r3aA-1lu4A:
undetectable		 4r3aA-1lu4A:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mk3 APOPTOSIS REGULATOR
BCL-W

(Homo sapiens) 		PF00452
(Bcl-2)
PF02180
(BH4) 		4 LEU A  12
VAL A 126
LEU A 129
GLY A 142
 None
 0.81A 4r3aA-1mk3A:
undetectable		 4r3aA-1mk3A:
20.58
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.
1mt6 SET9

(Homo sapiens) 		PF00856
(SET)
PF02493
(MORN) 		5 THR A  85
GLU A  90
ASN A 113
LEU A  82
GLY A  70
 None
 1.49A 4r3aA-1mt6A:
undetectable		 4r3aA-1mt6A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n9l PUTATIVE BLUE LIGHT
RECEPTOR

(Chlamydomonas
reinhardtii) 		PF13426
(PAS_9) 		5 ASN A  56
LEU A  60
VAL A  70
PHE A 116
GLY A 118
 FMN  A 500 (-2.9A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.3A)
FMN  A 500 (-4.8A)
FMN  A 500 (-3.9A)
 0.40A 4r3aA-1n9lA:
15.9		 4r3aA-1n9lA:
21.51
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.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE

(Arthrobacter
sp.) 		PF00857
(Isochorismatase) 		4 GLU A  80
VAL A 227
LEU A 231
GLY A  86
 None
 0.90A 4r3aA-1nbaA:
undetectable		 4r3aA-1nbaA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnl L-3-PHOSPHOSERINE
PHOSPHATASE

(Homo sapiens) 		PF00702
(Hydrolase) 		4 THR A  24
LEU A 107
VAL A 161
GLY A 178
 None
 0.86A 4r3aA-1nnlA:
undetectable		 4r3aA-1nnlA:
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.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		4 THR A 298
GLU A 435
LEU A 363
GLY A 295
 HEM  A 500 ( 3.6A)
None
HEM  A 500 (-4.0A)
HEM  A 500 (-3.2A)
 0.78A 4r3aA-1nr6A:
undetectable		 4r3aA-1nr6A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nxi CONSERVED
HYPOTHETICAL PROTEIN
VC0424

(Vibrio cholerae) 		PF06877
(RraB) 		5 GLU A  42
LEU A  96
VAL A 101
LEU A 104
GLY A  64
 None
 1.47A 4r3aA-1nxiA:
undetectable		 4r3aA-1nxiA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oed ACETYLCHOLINE
RECEPTOR PROTEIN,
ALPHA CHAIN
ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN

(Torpedo
marmorata) 		PF02932
(Neur_chan_memb) 		4 GLU A 262
LEU A 253
VAL B 261
LEU B 264
 None
 0.68A 4r3aA-1oedA:
undetectable		 4r3aA-1oedA:
20.86
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		4 ASN A 207
LEU A 195
LEU A 210
PHE A 290
 None
 0.86A 4r3aA-1oltA:
undetectable		 4r3aA-1oltA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 THR A 165
LEU A 131
VAL A 145
LEU A 144
GLY A 235
 None
 1.35A 4r3aA-1ot5A:
undetectable		 4r3aA-1ot5A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		4 LEU A 142
VAL A 282
LEU A 285
GLY A 180
 None
 0.84A 4r3aA-1pixA:
undetectable		 4r3aA-1pixA:
20.81
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.
1rq1 HYPOTHETICAL 65.0
KDA PROTEIN IN
COX14-COS3
INTERGENIC REGION
PRECURSOR

(Saccharomyces
cerevisiae) 		PF04137
(ERO1) 		5 THR A 402
LEU A 282
VAL A 388
LEU A 391
GLY A 365
 None
 1.37A 4r3aA-1rq1A:
undetectable		 4r3aA-1rq1A:
21.64
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.
1rzf FAB E51 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR H 191
ASN H 155
VAL H 182
LEU H 138
GLY H 190
 None
 1.46A 4r3aA-1rzfH:
undetectable		 4r3aA-1rzfH:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s3k HU3S193 FAB
FRAGMENT, HEAVY
CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR H 197
ASN H 161
VAL H 188
LEU H 144
GLY H 196
 None
 1.38A 4r3aA-1s3kH:
undetectable		 4r3aA-1s3kH:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sbd SOYBEAN AGGLUTININ

(Glycine max) 		PF00139
(Lectin_legB) 		4 ASN A  17
VAL A  26
LEU A  32
GLY A 207
 None
 0.87A 4r3aA-1sbdA:
undetectable		 4r3aA-1sbdA:
22.63
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.
1t12 NONSPECIFIC
LIPID-TRANSFER
PROTEIN 1

(Nicotiana
tabacum) 		PF00234
(Tryp_alpha_amyl) 		4 LEU A  15
VAL A  31
LEU A  34
GLY A   5
 None
 0.91A 4r3aA-1t12A:
undetectable		 4r3aA-1t12A:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1th5 NIFU1

(Oryza sativa) 		PF01106
(NifU) 		4 LEU A 183
VAL A 161
LEU A 165
GLY A 179
 None
 0.82A 4r3aA-1th5A:
undetectable		 4r3aA-1th5A:
13.81
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.
1tve HOMOSERINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		4 ASN A 190
VAL A 284
LEU A 285
PHE A 194
 None
 0.89A 4r3aA-1tveA:
undetectable		 4r3aA-1tveA:
23.16
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.
1uj3 IGG FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR B 495
ASN B 459
VAL B 486
LEU B 442
GLY B 494
 None
 1.16A 4r3aA-1uj3B:
undetectable		 4r3aA-1uj3B:
22.41
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.
1uwe ANTIBODY 14D9

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR H 191
ASN H 155
VAL H 182
LEU H 138
GLY H 190
 None
 1.46A 4r3aA-1uweH:
undetectable		 4r3aA-1uweH:
20.74
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.
1viw ALPHA-AMYLASE-INHIBI
TOR

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		4 ASN B  15
VAL B  24
LEU B  30
GLY B 178
 None
 0.86A 4r3aA-1viwB:
undetectable		 4r3aA-1viwB:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wky ENDO-BETA-1,4-MANNAN
ASE

(Bacillus sp.
JAMB-602) 		PF00150
(Cellulase) 		4 THR A  81
GLU A 117
ASN A 154
GLY A  55
 None
 0.89A 4r3aA-1wkyA:
undetectable		 4r3aA-1wkyA:
20.64
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.
1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH) 		4 THR A  46
GLU A  56
VAL A  61
LEU A  60
 None
None
None
SO4  A 703 ( 4.3A)
 0.77A 4r3aA-1wpnA:
undetectable		 4r3aA-1wpnA:
18.62
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.
1x9y CYSTEINE PROTEINASE

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47)
PF14731
(Staphopain_pro) 		4 THR A 179
GLU A 187
ASN A 183
GLY A 164
 None
 0.90A 4r3aA-1x9yA:
undetectable		 4r3aA-1x9yA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xb2 ELONGATION FACTOR
TS, MITOCHONDRIAL

(Bos taurus) 		PF00889
(EF_TS) 		4 THR B  70
GLU B 102
LEU B  81
GLY B  71
 None
 0.90A 4r3aA-1xb2B:
undetectable		 4r3aA-1xb2B:
23.58
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.
1xcf TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00290
(Trp_syntA) 		4 LEU A 209
VAL A 197
LEU A 200
GLY A 170
 None
 0.88A 4r3aA-1xcfA:
undetectable		 4r3aA-1xcfA:
22.40
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.
1xdv SON OF SEVENLESS
PROTEIN HOMOLOG 1

(Homo sapiens) 		PF00169
(PH)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF00621
(RhoGEF) 		4 GLU A 792
LEU A 919
LEU A 872
GLY A 931
 None
 0.83A 4r3aA-1xdvA:
undetectable		 4r3aA-1xdvA:
17.37
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.
1xpo RHO TRANSCRIPTION
TERMINATION FACTOR

(Escherichia
coli) 		PF00006
(ATP-synt_ab)
PF07497
(Rho_RNA_bind)
PF07498
(Rho_N) 		5 GLU A 248
LEU A 264
VAL A 260
LEU A 313
GLY A 302
 None
 1.49A 4r3aA-1xpoA:
undetectable		 4r3aA-1xpoA:
25.73
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.
1yb1 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
TYPE XI

(Homo sapiens) 		PF00106
(adh_short) 		4 GLU A  70
LEU A  58
LEU A  68
GLY A  44
 None
 0.88A 4r3aA-1yb1A:
undetectable		 4r3aA-1yb1A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybd URIDYLATE KINASE

(Neisseria
meningitidis) 		PF00696
(AA_kinase) 		4 LEU A 162
VAL A 239
LEU A 238
GLY A 232
 None
 0.89A 4r3aA-1ybdA:
undetectable		 4r3aA-1ybdA:
22.38
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.
1yns E-1 ENZYME

(Homo sapiens) 		no annotation 4 GLU A  36
VAL A  27
LEU A  31
GLY A 115
 None
HPO  A1261 ( 4.8A)
None
None
 0.89A 4r3aA-1ynsA:
undetectable		 4r3aA-1ynsA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a2p SELENOPROTEIN M

(Mus musculus) 		PF08806
(Sep15_SelM) 		4 ASN A  69
VAL A 109
LEU A 112
GLY A  36
 None
 0.89A 4r3aA-2a2pA:
undetectable		 4r3aA-2a2pA:
17.76
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.
2aj3 FAB M18, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR B 191
ASN B 155
VAL B 182
LEU B 138
GLY B 190
 None
 1.45A 4r3aA-2aj3B:
undetectable		 4r3aA-2aj3B:
23.89
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.
2akj FERREDOXIN--NITRITE
REDUCTASE,
CHLOROPLAST

(Spinacia
oleracea) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 GLU A 395
ASN A 408
LEU A 186
GLY A 368
 None
 0.58A 4r3aA-2akjA:
1.3		 4r3aA-2akjA:
21.14
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 GLU B 137
VAL B  65
LEU B  66
PHE B  47
GLY B 143
 None
 1.46A 4r3aA-2amcB:
undetectable		 4r3aA-2amcB:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		4 LEU A 388
VAL A 294
LEU A 295
PHE A 300
 None
 0.90A 4r3aA-2as0A:
undetectable		 4r3aA-2as0A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 THR A 308
GLU A 312
LEU A 272
GLY A 278
 None
 0.79A 4r3aA-2b5mA:
undetectable		 4r3aA-2b5mA:
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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
ALPHA CHAIN
ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 GLU A 262
LEU A 253
VAL B 261
LEU B 264
 None
 0.86A 4r3aA-2bg9A:
undetectable		 4r3aA-2bg9A:
20.05
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 LEU A 324
LEU A 331
PHE A 239
GLY A 241
 None
 0.78A 4r3aA-2bi7A:
undetectable		 4r3aA-2bi7A:
21.31
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.
2bwp 5-AMINOLEVULINATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00155
(Aminotran_1_2) 		4 LEU A  96
LEU A 103
PHE A 242
GLY A 244
 None
 0.90A 4r3aA-2bwpA:
undetectable		 4r3aA-2bwpA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2byk CHRAC-14
CHRAC-16

(Drosophila
melanogaster) 		PF00808
(CBFD_NFYB_HMF) 		4 GLU A  41
VAL B  82
LEU B  85
PHE A  44
 None
 0.89A 4r3aA-2bykA:
undetectable		 4r3aA-2bykA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		4 ASN A 112
LEU A  15
PHE A  42
GLY A  44
 None
 0.83A 4r3aA-2c1cA:
1.7		 4r3aA-2c1cA:
23.94
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.
2cb0 GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Pyrococcus
furiosus) 		PF01380
(SIS) 		4 ASN A 269
LEU A 266
VAL A 297
GLY A 194
 None
 0.91A 4r3aA-2cb0A:
1.5		 4r3aA-2cb0A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		4 LEU A 225
VAL A  94
LEU A  93
GLY A 291
 None
 0.89A 4r3aA-2cevA:
undetectable		 4r3aA-2cevA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cw7 ENDONUCLEASE
PI-PKOII

(Thermococcus
kodakarensis) 		PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		4 ASN A 410
VAL A 428
LEU A 419
GLY A 529
 None
 0.90A 4r3aA-2cw7A:
undetectable		 4r3aA-2cw7A:
22.44
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.
2d2i GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Synechococcus
sp.) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 THR A 255
ASN A 261
LEU A 167
LEU A 303
GLY A 307
 None
 1.48A 4r3aA-2d2iA:
2.3		 4r3aA-2d2iA:
26.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2egu CYSTEINE SYNTHASE

(Geobacillus
kaustophilus) 		PF00291
(PALP) 		5 GLU A  36
LEU A 262
VAL A  18
LEU A  33
GLY A 268
 None
 1.21A 4r3aA-2eguA:
undetectable		 4r3aA-2eguA:
24.52
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.
2eja UROPORPHYRINOGEN
DECARBOXYLASE

(Aquifex
aeolicus) 		PF01208
(URO-D) 		5 ASN A 114
LEU A  83
LEU A  77
PHE A 136
GLY A 138
 None
 1.34A 4r3aA-2ejaA:
undetectable		 4r3aA-2ejaA:
22.80
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.
2fa0 HMG-COA SYNTHASE

(Brassica juncea) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 ASN A 326
LEU A  39
VAL A 254
GLY A 206
 HMG  A 500 (-3.2A)
None
None
HMG  A 500 (-3.7A)
 0.87A 4r3aA-2fa0A:
0.7		 4r3aA-2fa0A:
21.64
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.
2fgn PHOSPHOLIPASE C

(Bacillus cereus) 		PF00882
(Zn_dep_PLPC) 		4 ASN A  19
VAL A  37
LEU A  40
GLY A 114
 None
 0.79A 4r3aA-2fgnA:
undetectable		 4r3aA-2fgnA:
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.
2fki PROTEIN YJBR

(Escherichia
coli) 		PF04237
(YjbR) 		4 GLU A 109
LEU A 118
VAL A 104
LEU A 107
 None
 0.85A 4r3aA-2fkiA:
undetectable		 4r3aA-2fkiA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		4 THR A 350
VAL A 314
LEU A 317
GLY A 336
 None
 0.75A 4r3aA-2fv0A:
undetectable		 4r3aA-2fv0A:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLU A 131
LEU A  49
LEU A  68
GLY A  32
 None
 0.90A 4r3aA-2g39A:
undetectable		 4r3aA-2g39A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 THR A 145
GLU A 288
VAL A  90
GLY A  40
 None
ACY  A 901 (-2.6A)
None
None
 0.84A 4r3aA-2g39A:
undetectable		 4r3aA-2g39A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 THR A 414
LEU A 426
LEU A 470
GLY A 443
 None
 0.86A 4r3aA-2g3nA:
undetectable		 4r3aA-2g3nA:
20.66
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 THR A  22
LEU A 358
LEU A 246
GLY A 243
 None
 0.88A 4r3aA-2gp6A:
undetectable		 4r3aA-2gp6A:
22.41
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.
2gyq YCFI, PUTATIVE
STRUCTURAL PROTEIN

(Rhodopseudomonas
palustris) 		PF05974
(DUF892) 		4 LEU A 131
VAL A 137
LEU A 140
GLY A  18
 None
 0.87A 4r3aA-2gyqA:
1.3		 4r3aA-2gyqA:
20.79
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.
2hi1 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 2

(Salmonella
enterica) 		PF04166
(PdxA) 		4 THR A   9
LEU A 143
LEU A 129
GLY A  11
 None
 0.88A 4r3aA-2hi1A:
undetectable		 4r3aA-2hi1A:
21.73
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.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 4 THR A 172
GLU A 134
PHE A 120
GLY A 122
 None
 0.81A 4r3aA-2hihA:
undetectable		 4r3aA-2hihA:
22.65
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.
2hkv HYPOTHETICAL PROTEIN

(Exiguobacterium
sibiricum) 		PF05163
(DinB) 		4 LEU A 132
VAL A  45
LEU A  49
GLY A  15
 None
 0.86A 4r3aA-2hkvA:
undetectable		 4r3aA-2hkvA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hn1 MAGNESIUM AND COBALT
TRANSPORTER

(Archaeoglobus
fulgidus) 		PF01544
(CorA) 		5 THR A  29
GLU A  23
VAL A  19
LEU A  96
GLY A  71
 None
 1.43A 4r3aA-2hn1A:
undetectable		 4r3aA-2hn1A:
22.31
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.
2i6t UBIQUITIN-CONJUGATIN
G ENZYME E2-LIKE
ISOFORM A

(Homo sapiens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASN A 269
LEU A 276
VAL A 291
GLY A 190
 None
 0.76A 4r3aA-2i6tA:
undetectable		 4r3aA-2i6tA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6t UBIQUITIN-CONJUGATIN
G ENZYME E2-LIKE
ISOFORM A

(Homo sapiens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASN A 269
LEU A 276
VAL A 291
GLY A 191
 None
 0.82A 4r3aA-2i6tA:
undetectable		 4r3aA-2i6tA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ihw LIPOAMIDE
ACYLTRANSFERASE
COMPONENT OF
BRANCHED-CHAIN
ALPHA-KETO ACID
DEHYDROGENASE
COMPLEX

(Bos taurus) 		PF00198
(2-oxoacid_dh) 		4 THR A 336
LEU A 293
LEU A 330
GLY A 284
 None
ACT  A 601 (-4.5A)
None
None
 0.70A 4r3aA-2ihwA:
undetectable		 4r3aA-2ihwA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 GLU A 197
LEU A 244
LEU A 251
GLY A 260
 None
 0.76A 4r3aA-2ip4A:
undetectable		 4r3aA-2ip4A:
23.74
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.
2iz7 MOCO CARRIER PROTEIN

(Chlamydomonas
reinhardtii) 		no annotation 4 LEU A 128
VAL A 160
LEU A 163
GLY A 145
 None
 0.87A 4r3aA-2iz7A:
undetectable		 4r3aA-2iz7A:
19.94
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 THR A  90
ASN A  48
LEU A 102
PHE A  97
GLY A  95
 None
 1.37A 4r3aA-2j4dA:
undetectable		 4r3aA-2j4dA:
22.91
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.
2mwg BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF01740
(STAS)
PF13426
(PAS_9) 		5 ASN A  61
LEU A  65
VAL A  75
PHE A 119
GLY A 121
 FMN  A 900 (-2.0A)
FMN  A 900 ( 4.1A)
None
None
FMN  A 900 (-2.9A)
 1.06A 4r3aA-2mwgA:
12.2		 4r3aA-2mwgA:
29.94
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.
2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Rhodobacter
sphaeroides) 		PF00355
(Rieske) 		4 GLU A 121
VAL A 124
LEU A 123
GLY A  85
 None
 0.90A 4r3aA-2numA:
undetectable		 4r3aA-2numA:
20.18
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		4 THR A 135
GLU A 193
VAL A 425
GLY A 115
 THR  A 135 ( 0.8A)
GLU  A 193 ( 0.6A)
VAL  A 425 ( 0.6A)
GLY  A 115 ( 0.0A)
 0.71A 4r3aA-2ogsA:
undetectable		 4r3aA-2ogsA:
22.36
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		4 GLU A 211
LEU A 173
VAL A 215
GLY A 151
 None
 0.75A 4r3aA-2oi6A:
undetectable		 4r3aA-2oi6A:
22.44
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.
2oo4 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 2

(Homo sapiens) 		PF00066
(Notch)
PF06816
(NOD)
PF07684
(NODP) 		5 THR A1658
LEU A1649
VAL A1666
LEU A1457
GLY A1657
 None
 1.33A 4r3aA-2oo4A:
undetectable		 4r3aA-2oo4A:
20.49