SIMILAR PATTERNS OF AMINO ACIDS FOR 4R38_C_RBFC201

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dy2 COLLAGEN ALPHA1(XV)
CHAIN

(Mus musculus) 		PF06482
(Endostatin) 		5 ILE A 246
VAL A 150
LEU A 151
ILE A 170
PHE A 121
 None
 1.34A 4r38C-1dy2A:
undetectable		 4r38C-1dy2A:
21.20
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.
1e0t PYRUVATE KINASE

(Escherichia
coli) 		PF00224
(PK)
PF02887
(PK_C) 		5 THR A  95
VAL A 163
LEU A 160
ILE A 165
PHE A  93
 None
 1.17A 4r38C-1e0tA:
undetectable		 4r38C-1e0tA:
16.93
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.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 ILE A 252
LEU A 268
LEU A 281
ILE A 279
PHE A 241
 None
 1.13A 4r38C-1hdiA:
undetectable		 4r38C-1hdiA:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 THR A 260
ASN A 374
LEU A  24
LEU A  46
ILE A  54
 None
 1.19A 4r38C-1hjvA:
0.0		 4r38C-1hjvA:
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.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 THR A 260
LEU A  24
LEU A  46
ILE A  54
PHE A 359
 None
 1.27A 4r38C-1hjvA:
0.0		 4r38C-1hjvA:
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.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 ASN A 321
LEU A 240
VAL A 339
LEU A 338
ILE A 330
 None
 1.24A 4r38C-1kaeA:
undetectable		 4r38C-1kaeA:
15.90
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.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		5 THR A  94
ILE A 101
VAL A 209
LEU A 197
ILE A 364
 None
 1.08A 4r38C-1kobA:
0.9		 4r38C-1kobA:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nij HYPOTHETICAL PROTEIN
YJIA

(Escherichia
coli) 		PF02492
(cobW)
PF07683
(CobW_C) 		5 THR A  55
ILE A  89
VAL A  95
LEU A  94
ILE A  96
 None
 1.04A 4r38C-1nijA:
1.9		 4r38C-1nijA:
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.
1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT

(Bacillus
subtilis) 		PF11563
(Protoglobin) 		5 ILE A 100
LEU A  79
VAL A  89
LEU A  92
ILE A  83
 None
HEM  A 180 (-4.1A)
None
CYN  A 181 (-3.5A)
None
 1.20A 4r38C-1or4A:
undetectable		 4r38C-1or4A:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 400
ILE A 351
LEU A 363
VAL A  10
ILE A   7
 MG  A1095 (-3.9A)
None
None
None
None
 1.26A 4r38C-1tqyA:
undetectable		 4r38C-1tqyA:
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.
1tz9 MANNONATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF03786
(UxuA) 		5 ILE A 194
LEU A 228
VAL A 183
LEU A 186
ILE A 221
 None
 1.25A 4r38C-1tz9A:
undetectable		 4r38C-1tz9A:
15.18
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.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ILE A  22
ASN A  83
VAL A 174
ILE A 172
PHE A  26
 None
 1.34A 4r38C-2d1yA:
undetectable		 4r38C-2d1yA:
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.
2e6m WERNER SYNDROME
ATP-DEPENDENT
HELICASE HOMOLOG

(Mus musculus) 		PF01612
(DNA_pol_A_exo1) 		5 GLU A  78
LEU A 215
VAL A 132
LEU A 171
ILE A 217
 None
None
None
SO4  A 501 (-3.9A)
None
 1.32A 4r38C-2e6mA:
undetectable		 4r38C-2e6mA:
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.
2g5g PUTATIVE LIPOPROTEIN

(Campylobacter
jejuni) 		PF04187
(Cofac_haem_bdg) 		5 THR X 221
ILE X 240
LEU X 215
LEU X  36
ILE X  60
 None
 1.31A 4r38C-2g5gX:
undetectable		 4r38C-2g5gX:
20.68
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.
2gf9 RAS-RELATED PROTEIN
RAB-3D

(Homo sapiens) 		PF00071
(Ras) 		5 ILE A  71
LEU A  39
VAL A 175
LEU A 179
PHE A  23
 None
 1.17A 4r38C-2gf9A:
undetectable		 4r38C-2gf9A:
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.
2hcb CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Aquifex
aeolicus) 		PF00308
(Bac_DnaA)
PF08299
(Bac_DnaA_C) 		5 GLU A 271
LEU A 305
VAL A 320
LEU A 324
ILE A 308
 None
 1.33A 4r38C-2hcbA:
undetectable		 4r38C-2hcbA:
20.63
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 THR A 751
GLU A 731
LEU A 464
ILE A 462
PHE A 728
 None
 1.17A 4r38C-2iujA:
undetectable		 4r38C-2iujA:
10.42
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.
2jgq TRIOSEPHOSPHATE
ISOMERASE

(Helicobacter
pylori) 		PF00121
(TIM) 		5 ILE A 118
LEU A 140
LEU A 149
ILE A 185
PHE A 108
 None
 1.29A 4r38C-2jgqA:
undetectable		 4r38C-2jgqA:
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.
2jwy UNCHARACTERIZED
LIPOPROTEIN YAJI

(Escherichia
coli) 		PF11622
(DUF3251) 		5 ILE A 104
VAL A 144
LEU A 147
ILE A  71
PHE A 149
 None
 1.17A 4r38C-2jwyA:
undetectable		 4r38C-2jwyA:
24.57
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.
2nly DIVERGENT
POLYSACCHARIDE
DEACETYLASE
HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF04748
(Polysacc_deac_2) 		5 THR A 164
ILE A  37
VAL A 152
LEU A 130
ILE A 148
 None
 1.28A 4r38C-2nlyA:
undetectable		 4r38C-2nlyA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ooq RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE T

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ILE A1048
VAL A1053
LEU A1064
ILE A 997
PHE A1067
 B3P  A 301 ( 3.7A)
None
None
None
None
 1.31A 4r38C-2ooqA:
undetectable		 4r38C-2ooqA:
19.49
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.
2pfm ADENYLOSUCCINATE
LYASE

(Bacillus
anthracis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ILE A 114
GLU A   9
LEU A 282
LEU A 326
ILE A 235
 None
 1.25A 4r38C-2pfmA:
undetectable		 4r38C-2pfmA:
15.38
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.
2pn0 PROKARYOTIC
TRANSCRIPTION
ELONGATION FACTOR
GREA/GREB

(Nitrosomonas
europaea) 		PF01272
(GreA_GreB)
PF14760
(Rnk_N) 		5 ILE A   7
GLU A  38
VAL A  95
LEU A  99
ILE A  89
 None
 1.31A 4r38C-2pn0A:
undetectable		 4r38C-2pn0A:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pr5 BLUE-LIGHT
PHOTORECEPTOR

(Bacillus
subtilis) 		PF13426
(PAS_9) 		5 ASN A  61
LEU A  65
VAL A  75
ILE A  92
PHE A 119
 FMN  A 500 (-3.2A)
FMN  A 500 (-4.4A)
FMN  A 500 (-4.6A)
FMN  A 500 ( 4.6A)
FMN  A 500 ( 4.8A)
 0.72A 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.
2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 103
LEU A  56
VAL A  63
LEU A  88
ILE A  78
 None
 1.20A 4r38C-2q50A:
undetectable		 4r38C-2q50A:
18.04
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		5 ASN A 607
LEU A1000
VAL A1012
LEU A 541
ILE A1015
 None
 1.28A 4r38C-2y3aA:
1.4		 4r38C-2y3aA:
9.32
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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 GLU A 172
LEU A 168
VAL A 371
LEU A 370
ILE A 367
 None
 1.20A 4r38C-2zy2A:
undetectable		 4r38C-2zy2A:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ahx BETA-GLUCOSIDASE A

(Clostridium
cellulovorans) 		PF00232
(Glyco_hydro_1) 		5 ILE A  93
LEU A 104
LEU A 150
ILE A 117
PHE A  86
 None
 1.32A 4r38C-3ahxA:
undetectable		 4r38C-3ahxA:
16.31
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 ILE A 657
ASN A 541
LEU A 534
LEU A 492
ILE A 503
 None
 1.24A 4r38C-3cemA:
undetectable		 4r38C-3cemA:
9.91
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.
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 THR A 540
GLU A 448
LEU A 458
VAL A 502
ILE A 513
 None
 1.28A 4r38C-3cmmA:
undetectable		 4r38C-3cmmA:
9.27
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.
3cr8 SULFATE
ADENYLYLTRANSFERASE,
ADENYLYLSULFATE
KINASE

(Thiobacillus
denitrificans) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ILE A 296
ASN A 255
LEU A  48
LEU A 248
PHE A  79
 None
 1.24A 4r38C-3cr8A:
undetectable		 4r38C-3cr8A:
17.25
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.
3eet PUTATIVE GNTR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
avermitilis) 		PF00392
(GntR)
PF07702
(UTRA) 		5 GLU A  58
LEU A  49
VAL A  12
LEU A  16
ILE A  37
 None
 0.97A 4r38C-3eetA:
undetectable		 4r38C-3eetA:
22.71
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.
3gaf 7-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ILE A  27
ASN A  94
VAL A 184
ILE A 182
PHE A  31
 None
 1.28A 4r38C-3gafA:
undetectable		 4r38C-3gafA:
21.52
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.
3goz LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN

(Legionella
pneumophila) 		no annotation 5 ILE A 165
VAL A 113
LEU A 114
ILE A 111
PHE A 133
 None
 1.29A 4r38C-3gozA:
undetectable		 4r38C-3gozA:
18.03
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.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 THR A  99
ILE A  51
LEU A 146
VAL A 157
LEU A 112
 None
 1.31A 4r38C-3h7uA:
undetectable		 4r38C-3h7uA:
18.51
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.
3lm7 PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE /
2-DEHYDRO-3-DEOXYPHO
SPHOGLUCONATE
ALDOLASE

(Yersinia
enterocolitica) 		PF07071
(KDGP_aldolase) 		5 THR A 190
LEU A  17
VAL A 234
LEU A 237
ILE A 221
 None
 1.00A 4r38C-3lm7A:
undetectable		 4r38C-3lm7A:
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.
3m0z PUTATIVE ALDOLASE

(Klebsiella
pneumoniae) 		PF07071
(KDGP_aldolase) 		6 THR A 190
ILE A 213
LEU A  17
VAL A 234
LEU A 237
ILE A 221
 None
 1.07A 4r38C-3m0zA:
undetectable		 4r38C-3m0zA:
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.
3mux PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE

(Bacillus
anthracis) 		PF07071
(KDGP_aldolase) 		5 THR A 192
LEU A  18
VAL A 236
LEU A 239
ILE A 223
 None
 0.91A 4r38C-3muxA:
undetectable		 4r38C-3muxA:
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.
3n2t PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 ILE A  42
LEU A 126
VAL A 121
LEU A 119
ILE A 124
 None
 1.22A 4r38C-3n2tA:
undetectable		 4r38C-3n2tA:
18.91
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.
3n3u ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE IBPA

(Histophilus
somni) 		PF02661
(Fic) 		5 LEU A3502
VAL A3584
LEU A3775
ILE A3580
PHE A3743
 None
 1.23A 4r38C-3n3uA:
undetectable		 4r38C-3n3uA:
19.27
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 ILE A 358
VAL A 158
LEU A 147
ILE A 135
PHE A 121
 None
 1.22A 4r38C-3nzqA:
undetectable		 4r38C-3nzqA:
13.04
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.
3nzr 2-DEHYDRO-3-DEOXYPHO
SPHOGLUCONATE
ALDOLASE

(Aliivibrio
fischeri) 		PF07071
(KDGP_aldolase) 		6 THR A 190
ILE A 213
LEU A  17
VAL A 234
LEU A 237
ILE A 221
 None
 1.07A 4r38C-3nzrA:
undetectable		 4r38C-3nzrA:
21.29
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 THR A 198
LEU A  42
VAL A  31
LEU A  34
ILE A  11
 None
 1.08A 4r38C-3pdwA:
undetectable		 4r38C-3pdwA:
20.69
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.
3rab PROTEIN (RAB3A)

(Rattus
norvegicus) 		PF00071
(Ras) 		5 ILE A  71
LEU A  39
LEU A 179
ILE A  99
PHE A  23
 ILE  A  71 ( 0.7A)
LEU  A  39 ( 0.6A)
LEU  A 179 ( 0.6A)
ILE  A  99 ( 0.7A)
PHE  A  23 ( 1.3A)
 0.94A 4r38C-3rabA:
undetectable		 4r38C-3rabA:
25.15
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.
3rza TRIPEPTIDASE

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A 371
LEU A 360
VAL A 121
LEU A 366
ILE A   2
 None
 1.31A 4r38C-3rzaA:
undetectable		 4r38C-3rzaA:
15.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE

(Brucella
melitensis) 		PF13426
(PAS_9) 		5 ASN A  68
LEU A  72
VAL A  82
ILE A  99
PHE A 128
 FMN  A 200 (-3.1A)
FMN  A 200 (-4.3A)
FMN  A 200 (-4.3A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-4.5A)
 0.78A 4r38C-3t50A:
19.9		 4r38C-3t50A:
34.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 THR A 259
ILE A 228
VAL A 208
LEU A 249
ILE A 285
 None
 1.22A 4r38C-3tbhA:
undetectable		 4r38C-3tbhA:
16.93
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.
3udb SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 ILE A 246
GLU A 114
LEU A 124
LEU A 253
ILE A 271
 None
 1.09A 4r38C-3udbA:
undetectable		 4r38C-3udbA:
20.14
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.
3ujg SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 ILE A 246
GLU A 114
LEU A 124
LEU A 253
ILE A 271
 None
 1.10A 4r38C-3ujgA:
undetectable		 4r38C-3ujgA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b0t PUP--PROTEIN LIGASE

(Corynebacterium
glutamicum) 		PF03136
(Pup_ligase) 		5 THR A 206
GLU A 131
VAL A 244
LEU A 245
ILE A 248
 None
 1.17A 4r38C-4b0tA:
undetectable		 4r38C-4b0tA:
15.38
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		5 THR A 110
ILE A 516
LEU A 336
VAL A 401
PHE A 510
 None
 1.14A 4r38C-4ex4A:
undetectable		 4r38C-4ex4A:
11.55
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.
4ga7 LEUKOCYTE ELASTASE
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		5 THR A 251
ILE A 370
VAL A 216
LEU A 231
ILE A 209
 None
 1.32A 4r38C-4ga7A:
undetectable		 4r38C-4ga7A:
14.58
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.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL

(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9) 		5 ASN A  61
LEU A  65
VAL A  75
ILE A  92
PHE A 119
 FMN  A 401 (-3.1A)
FMN  A 401 (-4.5A)
FMN  A 401 ( 4.6A)
FMN  A 401 ( 4.6A)
FMN  A 401 (-4.7A)
 0.81A 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.
4imr 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 ILE A  27
LEU A 126
VAL A  88
LEU A  15
ILE A  79
 None
 1.26A 4r38C-4imrA:
undetectable		 4r38C-4imrA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isa UDP-3-O-[3-HYDROXYMY
RISTOYL]
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Escherichia
coli) 		PF03331
(LpxC) 		5 ILE A 244
ASN A 253
LEU A  87
ILE A 120
PHE A 182
 None
FMT  A 420 (-3.7A)
None
None
None
 1.26A 4r38C-4isaA:
undetectable		 4r38C-4isaA:
18.67
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.
4ivi CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		5 THR A 159
ILE A 224
VAL A 209
LEU A 208
PHE A 132
 None
 1.29A 4r38C-4iviA:
undetectable		 4r38C-4iviA:
15.86
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.
4jdy PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Mycobacterium
tuberculosis) 		PF01680
(SOR_SNZ) 		5 ILE A 121
LEU A  50
LEU A  98
ILE A  72
PHE A 130
 None
 1.25A 4r38C-4jdyA:
undetectable		 4r38C-4jdyA:
22.92
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.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  11
VAL A 363
LEU A  14
ILE A  37
PHE A  60
 None
 1.16A 4r38C-4jhmA:
undetectable		 4r38C-4jhmA:
18.52
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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ILE A 442
GLU A 408
ASN A 407
LEU A 136
PHE A 357
 None
 1.28A 4r38C-4jklA:
undetectable		 4r38C-4jklA:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3z D-ERYTHRULOSE
4-PHOSPHATE
DEHYDROGENASE

(Brucella
melitensis) 		no annotation 5 THR A  38
ILE A 225
GLU A 269
VAL A 294
ILE A 290
 None
 1.34A 4r38C-4k3zA:
undetectable		 4r38C-4k3zA:
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.
4q2e PHOSPHATIDATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01148
(CTP_transf_1) 		5 ILE A  49
LEU A  58
VAL A 134
LEU A 138
ILE A 268
 None
 1.35A 4r38C-4q2eA:
undetectable		 4r38C-4q2eA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q7l UNCHARACTERIZED ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0288

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 ILE A 422
LEU A 513
VAL A 398
LEU A 401
ILE A 544
 None
 1.21A 4r38C-4q7lA:
undetectable		 4r38C-4q7lA:
18.29
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 THR A 667
GLU B 972
LEU B 928
VAL B 991
ILE B 992
 None
 1.28A 4r38C-4qiwA:
undetectable		 4r38C-4qiwA:
10.54
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) 		9 THR A  21
ILE A  25
GLU A  30
ASN A  54
LEU A  58
VAL A  68
LEU A  71
ILE A  85
PHE A 114
 RBF  A 402 (-3.4A)
None
None
RBF  A 402 (-2.9A)
RBF  A 402 (-4.2A)
RBF  A 402 (-3.5A)
RBF  A 402 (-3.6A)
RBF  A 402 (-4.0A)
RBF  A 402 ( 4.3A)
 0.48A 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.
4r9p RE28239P

(Drosophila
melanogaster) 		PF03166
(MH2) 		5 ILE A 153
LEU A 232
VAL A 224
LEU A 202
ILE A  42
 None
 1.18A 4r38C-4r9pA:
undetectable		 4r38C-4r9pA:
20.33
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) 		6 THR A 101
ILE A 105
ASN A 134
LEU A 138
VAL A 154
ILE A 171
 FMN  A5201 (-3.4A)
None
FMN  A5201 (-2.5A)
FMN  A5201 (-3.7A)
FMN  A5201 (-3.6A)
FMN  A5201 ( 4.4A)
 0.78A 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.
4wxz PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Geobacillus
kaustophilus) 		PF01680
(SOR_SNZ) 		5 ILE A 116
LEU A  45
LEU A  93
ILE A  67
PHE A 125
 None
L5P  A  81 ( 4.8A)
None
None
None
 1.32A 4r38C-4wxzA:
undetectable		 4r38C-4wxzA:
19.66
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.
4yx8 DSBA-LIKE PROTEIN

(Proteus
mirabilis) 		PF13462
(Thioredoxin_4) 		5 ILE A 201
LEU A  93
VAL A 106
LEU A  76
ILE A  97
 None
 1.26A 4r38C-4yx8A:
undetectable		 4r38C-4yx8A:
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.
4z9x GLUCONATE
5-DEHYDROGENASE

(Streptococcus
pyogenes) 		PF13561
(adh_short_C2) 		5 ILE A 123
ASN A  92
LEU A 129
ILE A 181
PHE A 122
 None
 1.34A 4r38C-4z9xA:
undetectable		 4r38C-4z9xA:
20.45
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.
5az3 ABC-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Corynebacterium
glutamicum) 		PF01497
(Peripla_BP_2) 		5 ILE A 316
LEU A 278
LEU A 289
ILE A 275
PHE A 294
 None
 1.28A 4r38C-5az3A:
undetectable		 4r38C-5az3A:
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.
5buo AMYLOID BETA A4
PROTEIN

(Homo sapiens) 		PF12925
(APP_E2) 		5 ILE A 451
LEU A 390
VAL A 461
ILE A 462
PHE A 437
 SCN  A 714 ( 3.9A)
None
GOL  A 709 ( 4.9A)
None
None
 1.23A 4r38C-5buoA:
undetectable		 4r38C-5buoA:
17.75
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 ILE A 317
GLU A 279
VAL A  82
LEU A  83
ILE A 112
 None
PLP  A 401 ( 4.0A)
None
None
None
 1.34A 4r38C-5c3uA:
undetectable		 4r38C-5c3uA:
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.
5dzv PROTEIN PCDHA7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 GLU A 147
ASN A 146
LEU A 165
LEU A 171
ILE A 113
 None
 1.19A 4r38C-5dzvA:
undetectable		 4r38C-5dzvA:
14.15
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 ILE A  74
LEU A 231
VAL A  79
LEU A  78
ILE A  80
 None
 1.27A 4r38C-5fg3A:
undetectable		 4r38C-5fg3A:
13.48
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 ILE A 403
GLU A 427
LEU A 486
LEU A 474
ILE A 422
 None
 1.31A 4r38C-5hdhA:
undetectable		 4r38C-5hdhA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvn 3-DEHYDROQUINATE
SYNTHASE

(Francisella
tularensis) 		PF01761
(DHQ_synthase) 		5 THR A 143
ILE A 107
VAL A  98
LEU A  99
ILE A 122
 None
 1.31A 4r38C-5hvnA:
undetectable		 4r38C-5hvnA:
17.27
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 THR A  19
ILE A1118
LEU A 458
VAL A1114
ILE A  15
 None
 1.34A 4r38C-5hy7A:
undetectable		 4r38C-5hy7A:
8.65
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.
5i4c TRANSCRIPTIONAL
REGULATORY PROTEIN
RCSB

(Escherichia
coli) 		PF00072
(Response_reg) 		5 GLU A 104
LEU A  70
VAL A  98
LEU A 101
ILE A  68
 None
 1.19A 4r38C-5i4cA:
undetectable		 4r38C-5i4cA:
19.25
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.
5id4 DSBA-LIKE PROTEIN

(Proteus
mirabilis) 		PF13462
(Thioredoxin_4) 		5 ILE A 201
LEU A  93
VAL A 106
LEU A  76
ILE A  97
 None
 1.07A 4r38C-5id4A:
undetectable		 4r38C-5id4A:
19.47
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.
5jif HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 THR A 277
ILE A 152
LEU A 260
ILE A 258
PHE A 200
 NA  A 801 ( 4.1A)
None
None
None
None
 1.27A 4r38C-5jifA:
undetectable		 4r38C-5jifA:
16.09
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.
5mji BRAMP DOMAIN PROTEIN

(Streptomyces
davaonensis) 		PF03358
(FMN_red) 		5 THR A 196
LEU A 130
VAL A 145
LEU A 149
ILE A  87
 None
 1.26A 4r38C-5mjiA:
undetectable		 4r38C-5mjiA:
19.70
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.
5nkz PEROXIN 22

(Ogataea angusta) 		no annotation 5 ILE D 123
LEU D  81
VAL D 115
LEU D 119
ILE D 104
 None
 1.28A 4r38C-5nkzD:
undetectable		 4r38C-5nkzD:
21.17
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 THR A 388
ILE A 393
LEU A 361
ILE A 245
PHE A   4
 None
 1.28A 4r38C-5u4hA:
undetectable		 4r38C-5u4hA:
17.49
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.
5u9p GLUCONATE
5-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 ILE A 144
ASN A  96
LEU A 198
VAL A 224
LEU A 227
 None
NAP  A 301 (-3.3A)
NAP  A 301 ( 3.5A)
None
None
 1.11A 4r38C-5u9pA:
undetectable		 4r38C-5u9pA:
24.05
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.
5vxv PEROXISOMAL MEMBRANE
PROTEIN PEX15

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 135
VAL A 184
LEU A 187
ILE A 237
PHE A 170
 None
 1.33A 4r38C-5vxvA:
undetectable		 4r38C-5vxvA:
19.71
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.
5wax -

(-) 		no annotation 5 ILE A 238
GLU A 106
LEU A 116
LEU A 245
ILE A 263
 None
 1.19A 4r38C-5waxA:
undetectable		 4r38C-5waxA:
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.
5wxu 11S GLOBULIN

(Wrightia
tinctoria) 		no annotation 5 GLU A  66
LEU A  75
VAL A 182
LEU A 181
ILE A 183
 None
 1.33A 4r38C-5wxuA:
undetectable		 4r38C-5wxuA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE

(Vibrio sp. EJY3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A  37
GLU A 351
LEU A 112
ILE A 280
PHE A 352
 None
 1.30A 4r38C-5xd7A:
undetectable		 4r38C-5xd7A:
18.70
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.
5z03 MUREIN TETRAPEPTIDE
CARBOXYPEPTIDASE

(Escherichia
coli) 		no annotation 5 ILE A  39
ASN A  35
LEU A   3
LEU A  71
ILE A  69
 None
 1.22A 4r38C-5z03A:
undetectable		 4r38C-5z03A:
19.18
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.
5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 THR A 167
LEU A 221
VAL A 243
LEU A 240
ILE A 160
 None
 1.24A 4r38C-5zqzA:
undetectable		 4r38C-5zqzA:
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 THR A 110
ILE A 515
LEU A 335
VAL A 400
PHE A 509
 None
 1.15A 4r38C-6axeA:
undetectable		 4r38C-6axeA:
11.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 5 ILE A1657
LEU A1862
VAL A2038
LEU A2037
ILE A1864
 None
 1.10A 4r38C-6bq1A:
undetectable		 4r38C-6bq1A:
0.00
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.
6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 5 ILE A 415
GLU A 286
LEU A 296
LEU A 422
ILE A 440
 None
 1.02A 4r38C-6bqlA:
undetectable		 4r38C-6bqlA:
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 5 ILE A  78
LEU A 345
VAL A 204
LEU A 373
ILE A 202
 None
 1.26A 4r38C-6c0dA:
undetectable		 4r38C-6c0dA:
25.00
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT E
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT F

(Pyrococcus
furiosus) 		no annotation 5 ILE F  17
LEU A  17
VAL B  63
LEU B  66
ILE B  62
 None
 1.34A 4r38C-6cfwF:
undetectable		 4r38C-6cfwF:
17.91
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.
6d46 BETA SLIDING CLAMP

(Rickettsia
typhi) 		no annotation 5 ILE A 182
LEU A 220
VAL A 193
LEU A 160
ILE A 226
 None
 1.34A 4r38C-6d46A:
undetectable		 4r38C-6d46A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A2161
ASN A2341
LEU A2451
LEU A2263
ILE A2331
 None
 1.29A 4r38C-6emkA:
undetectable		 4r38C-6emkA:
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.
6eo2 TRANSCRIPTIONAL
REGULATORY PROTEIN
RCSB

(Salmonella
enterica) 		no annotation 5 GLU A 104
LEU A  70
VAL A  98
LEU A 101
ILE A  68
 None
 1.28A 4r38C-6eo2A:
undetectable		 4r38C-6eo2A:
24.12
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.
6gbv PUTATIVE BLUE-LIGHT
PHOTORECEPTOR

(Dinoroseobacter
shibae) 		no annotation 5 ASN A  71
LEU A  75
VAL A  85
ILE A 102
PHE A 131
 FMN  A 500 ( 3.2A)
FMN  A 500 (-4.0A)
FMN  A 500 (-4.3A)
FMN  A 500 ( 4.3A)
FMN  A 500 (-4.8A)
 0.79A 4r38C-6gbvA:
18.5		 4r38C-6gbvA:
undetectable