SIMILAR PATTERNS OF AMINO ACIDS FOR 3LBD_A_9CRA424_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cjw PROTEIN (SEROTONIN
N-ACETYLTRANSFERASE)

(Ovis aries) 		PF00583
(Acetyltransf_1) 		5 ALA A  55
LEU A 124
SER A  60
GLY A 136
ILE A  51
 COT  A 400 ( 4.0A)
COT  A 400 (-4.5A)
COT  A 400 (-3.4A)
COT  A 400 (-3.5A)
None
 1.07A 3lbdA-1cjwA:
0.0		 3lbdA-1cjwA:
21.62
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.
1ei7 COAT PROTEIN

(Tobacco mosaic
virus) 		PF00721
(TMV_coat) 		5 LEU A 132
ILE A 125
ARG A 122
PHE A  48
ALA A  18
 None
 1.39A 3lbdA-1ei7A:
undetectable		 3lbdA-1ei7A:
20.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1exx RETINOIC ACID
RECEPTOR GAMMA-2

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 271
ILE A 275
ARG A 278
SER A 289
ALA A 394
 961  A 450 (-3.6A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
None
 0.98A 3lbdA-1exxA:
40.5		 3lbdA-1exxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1exx RETINOIC ACID
RECEPTOR GAMMA-2

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 PHE A 230
ALA A 234
LEU A 268
LEU A 271
MET A 272
ILE A 275
ARG A 278
SER A 289
PHE A 304
GLY A 393
ALA A 397
ILE A 412
 961  A 450 (-3.9A)
961  A 450 (-3.1A)
961  A 450 ( 4.9A)
961  A 450 (-3.6A)
961  A 450 (-3.1A)
961  A 450 (-3.5A)
961  A 450 (-3.6A)
961  A 450 (-2.5A)
961  A 450 (-3.6A)
961  A 450 ( 4.0A)
961  A 450 ( 4.2A)
961  A 450 ( 4.1A)
 0.48A 3lbdA-1exxA:
40.5		 3lbdA-1exxA:
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.
1hjr HOLLIDAY JUNCTION
RESOLVASE (RUVC)

(Escherichia
coli) 		PF02075
(RuvC) 		5 ALA A  87
LEU A   4
ILE A  33
GLY A  16
ILE A  65
 None
 1.37A 3lbdA-1hjrA:
0.0		 3lbdA-1hjrA:
20.46
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.
1iz1 LYSR-TYPE REGULATORY
PROTEIN

(Cupriavidus
necator) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 PHE A 194
ALA A 229
ILE A 241
SER A 239
PHE A 202
 None
 1.47A 3lbdA-1iz1A:
undetectable		 3lbdA-1iz1A:
20.94
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.
1m9i ANNEXIN VI

(Homo sapiens) 		PF00191
(Annexin) 		5 PHE A 215
MET A 242
ILE A 230
ARG A 231
GLY A 204
 None
 1.06A 3lbdA-1m9iA:
0.0		 3lbdA-1m9iA:
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.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 PHE A  75
LEU A 285
ILE A  82
PHE A 219
GLY A 221
 None
 0.97A 3lbdA-1n31A:
0.0		 3lbdA-1n31A:
22.62
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.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		5 LEU A 151
LEU A 157
ILE A 124
SER A 117
ALA A 105
 None
 1.22A 3lbdA-1narA:
0.0		 3lbdA-1narA:
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.
1ojl TRANSCRIPTIONAL
REGULATORY PROTEIN
ZRAR

(Salmonella
enterica) 		PF00158
(Sigma54_activat)
PF02954
(HTH_8) 		5 ALA A 364
LEU A 361
ARG A 329
PHE A 341
ILE A 386
 None
 1.40A 3lbdA-1ojlA:
0.0		 3lbdA-1ojlA:
24.47
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		5 PHE A  61
ALA A  82
LEU A  89
LEU A  86
GLY A 325
 None
 1.45A 3lbdA-1oltA:
undetectable		 3lbdA-1oltA:
21.63
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.
1rq1 HYPOTHETICAL 65.0
KDA PROTEIN IN
COX14-COS3
INTERGENIC REGION
PRECURSOR

(Saccharomyces
cerevisiae) 		PF04137
(ERO1) 		5 PHE A 336
ALA A 222
SER A 217
PHE A 374
ALA A 369
 None
 1.33A 3lbdA-1rq1A:
undetectable		 3lbdA-1rq1A:
25.84
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ALA A 257
ILE A 225
SER A 262
GLY A 242
ILE A 252
 None
None
None
FAD  A5485 (-3.5A)
None
 1.40A 3lbdA-1tezA:
undetectable		 3lbdA-1tezA:
18.71
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.
1wr8 PHOSPHOGLYCOLATE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		5 ALA A 173
ILE A 167
GLY A  36
ALA A  32
ILE A 224
 None
 1.05A 3lbdA-1wr8A:
undetectable		 3lbdA-1wr8A:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xap RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 PHE A 221
ALA A 225
LEU A 259
LEU A 262
ILE A 266
ARG A 269
SER A 280
PHE A 295
ILE A 403
 TTB  A   1 (-4.7A)
TTB  A   1 (-4.0A)
TTB  A   1 ( 4.9A)
TTB  A   1 (-3.9A)
TTB  A   1 ( 4.0A)
TTB  A   1 (-3.3A)
TTB  A   1 (-3.1A)
TTB  A   1 ( 4.1A)
TTB  A   1 ( 4.8A)
 0.34A 3lbdA-1xapA:
38.2		 3lbdA-1xapA:
87.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xap RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 PHE A 221
ALA A 225
LEU A 259
LEU A 262
SER A 280
GLY A 384
ILE A 403
 TTB  A   1 (-4.7A)
TTB  A   1 (-4.0A)
TTB  A   1 ( 4.9A)
TTB  A   1 (-3.9A)
TTB  A   1 (-3.1A)
TTB  A   1 ( 4.0A)
TTB  A   1 ( 4.8A)
 0.69A 3lbdA-1xapA:
38.2		 3lbdA-1xapA:
87.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xdk RETINOIC ACID
RECEPTOR, BETA

(Mus musculus) 		PF00104
(Hormone_recep) 		10 PHE B 221
ALA B 225
LEU B 259
LEU B 262
ILE B 266
ARG B 269
SER B 280
PHE B 295
GLY B 384
ILE B 403
 9CR  B 600 ( 4.7A)
9CR  B 600 (-3.8A)
None
9CR  B 600 (-3.9A)
9CR  B 600 ( 3.8A)
9CR  B 600 (-3.8A)
9CR  B 600 (-3.0A)
9CR  B 600 (-3.9A)
9CR  B 600 ( 4.6A)
9CR  B 600 ( 4.4A)
 0.55A 3lbdA-1xdkB:
37.5		 3lbdA-1xdkB:
79.93
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.
1yaa ASPARTATE
AMINOTRANSFERASE

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 ALA A  83
LEU A 233
SER A  78
GLY A 227
ILE A  87
 None
 1.21A 3lbdA-1yaaA:
undetectable		 3lbdA-1yaaA:
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.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		5 ALA A 257
LEU A 268
GLY A 271
ALA A 273
ILE A 285
 None
None
FMN  A1312 (-3.4A)
None
None
 1.15A 3lbdA-2bx7A:
undetectable		 3lbdA-2bx7A:
23.27
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.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		5 LEU A 268
MET A 267
ILE A 246
GLY A  38
ILE A 285
 None
 1.31A 3lbdA-2bx7A:
undetectable		 3lbdA-2bx7A:
23.27
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.
2c0g WINDBEUTEL PROTEIN

(Drosophila
melanogaster) 		PF07749
(ERp29)
PF07912
(ERp29_N) 		5 ALA A1079
LEU A1077
SER A1066
GLY A1113
ALA A1115
 None
 1.01A 3lbdA-2c0gA:
undetectable		 3lbdA-2c0gA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cx9 ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  86
ILE A 252
SER A  91
GLY A 260
ALA A 262
 None
 1.15A 3lbdA-2cx9A:
undetectable		 3lbdA-2cx9A:
22.90
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.
2dhn 7,8-DIHYDRONEOPTERIN
ALDOLASE

(Staphylococcus
aureus) 		PF02152
(FolB) 		5 LEU A  73
LEU A  76
ILE A  80
SER A  63
GLY A 113
 PH2  A 122 (-3.8A)
None
None
None
None
 1.26A 3lbdA-2dhnA:
undetectable		 3lbdA-2dhnA:
17.10
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.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 426
LEU A 436
LEU A 439
SER A 450
GLY A 402
 None
 1.36A 3lbdA-2eq9A:
undetectable		 3lbdA-2eq9A:
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A 192
LEU A  45
LEU A  41
GLY A 160
ALA A 158
 None
 1.24A 3lbdA-2fnuA:
undetectable		 3lbdA-2fnuA:
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.
2gsc PUTATIVE
UNCHARACTERIZED
PROTEIN XCC0516

(Xanthomonas
campestris) 		PF05635
(23S_rRNA_IVP) 		5 ALA A  76
LEU A 118
LEU A 115
SER A  81
ALA A  61
 None
 1.37A 3lbdA-2gscA:
undetectable		 3lbdA-2gscA:
19.50
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.
2kvp TALIN-1

(Mus musculus) 		PF08913
(VBS) 		5 ALA A1861
LEU A1968
LEU A1965
SER A1958
ALA A1903
 None
 1.28A 3lbdA-2kvpA:
undetectable		 3lbdA-2kvpA:
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 167
LEU A 269
ILE A 185
ARG A 274
ALA A 194
 None
None
FAD  A 480 (-4.3A)
FAD  A 480 (-3.9A)
None
 1.36A 3lbdA-2qaeA:
undetectable		 3lbdA-2qaeA:
19.96
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.
2qiw PEP PHOSPHONOMUTASE

(Corynebacterium
glutamicum) 		PF13714
(PEP_mutase) 		5 ALA A 106
MET A   1
SER A  76
GLY A 143
ALA A 139
 None
None
None
GOL  A 261 (-3.9A)
None
 1.48A 3lbdA-2qiwA:
undetectable		 3lbdA-2qiwA:
19.64
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA 1 178
ILE 1 165
SER 1 169
GLY 1  18
ILE 1 175
 None
None
None
GDP  1 339 (-3.4A)
None
 1.31A 3lbdA-2r6r1:
undetectable		 3lbdA-2r6r1:
23.51
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.
2vr3 CLUMPING FACTOR A

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 PHE A 263
ALA A 331
LEU A 304
PHE A 275
GLY A 307
 None
 1.27A 3lbdA-2vr3A:
undetectable		 3lbdA-2vr3A:
24.55
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.
2yp6 THIOREDOXIN FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF00578
(AhpC-TSA) 		5 PHE A 181
ALA A 177
LEU A  91
LEU A  94
ILE A 172
 None
 1.00A 3lbdA-2yp6A:
undetectable		 3lbdA-2yp6A:
20.22
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 ALA A 260
LEU A 163
ILE A 159
SER A 303
ALA A 172
 None
 1.37A 3lbdA-2z8zA:
undetectable		 3lbdA-2z8zA:
17.45
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 ALA A 347
LEU A 366
LEU A 370
GLY A 364
ILE A 127
 None
 1.46A 3lbdA-2zzgA:
undetectable		 3lbdA-2zzgA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3crj TRANSCRIPTION
REGULATOR

(Haloarcula
marismortui) 		PF00440
(TetR_N)
PF13977
(TetR_C_6) 		5 ALA A 183
LEU A  90
LEU A  94
ALA A 191
ILE A 163
 None
 1.22A 3lbdA-3crjA:
undetectable		 3lbdA-3crjA:
22.42
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.
3dyj TALIN-1

(Mus musculus) 		no annotation 5 ALA A2244
LEU A2251
LEU A2248
ALA A2185
ILE A2212
 None
 1.18A 3lbdA-3dyjA:
undetectable		 3lbdA-3dyjA:
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		5 PHE A 323
LEU A 288
LEU A 285
MET A 284
PHE A 321
 None
 1.04A 3lbdA-3e2dA:
undetectable		 3lbdA-3e2dA:
20.40
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.
3eap RHO
GTPASE-ACTIVATING
PROTEIN 11A

(Homo sapiens) 		PF00620
(RhoGAP) 		5 PHE A  68
LEU A  95
LEU A  98
PHE A  47
ILE A 117
 None
 1.19A 3lbdA-3eapA:
undetectable		 3lbdA-3eapA:
25.82
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.
3eix HTSA PROTEIN

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 ALA A  54
LEU A 141
ILE A  39
SER A  37
ILE A  57
 None
 1.48A 3lbdA-3eixA:
undetectable		 3lbdA-3eixA:
23.48
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.
3emj INORGANIC
PYROPHOSPHATASE

(Rickettsia
prowazekii) 		PF00719
(Pyrophosphatase) 		5 LEU A 123
ILE A 134
ARG A 133
GLY A 156
ALA A 161
 None
 1.05A 3lbdA-3emjA:
undetectable		 3lbdA-3emjA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyn INTEGRON GENE
CASSETTE PROTEIN
HFX_CASS3

(uncultured
bacterium) 		PF00583
(Acetyltransf_1) 		5 PHE A  85
ALA A 100
GLY A  93
ALA A  91
ILE A  55
 None
None
ACT  A 202 (-3.7A)
None
None
 0.93A 3lbdA-3fynA:
undetectable		 3lbdA-3fynA:
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.
3g98 ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF02272
(DHHA1) 		5 PHE A 797
ALA A 857
ILE A 806
ARG A 801
GLY A 837
 None
 1.30A 3lbdA-3g98A:
undetectable		 3lbdA-3g98A:
17.83
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.
3gbf PHPD

(Streptomyces
viridochromogenes) 		no annotation 5 ALA A 253
LEU A 276
LEU A 279
SER A 248
GLY A 272
 None
 1.39A 3lbdA-3gbfA:
undetectable		 3lbdA-3gbfA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j31 A223 PENTON BASE

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 5 LEU Q 115
LEU Q  49
ILE Q  86
GLY Q 117
ILE Q  94
 None
 1.14A 3lbdA-3j31Q:
undetectable		 3lbdA-3j31Q:
21.72
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.
3k6x SOLUTE-BINDING
PROTEIN MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		5 LEU A 259
LEU A 125
ILE A 137
SER A 131
ALA A 174
 None
 1.23A 3lbdA-3k6xA:
undetectable		 3lbdA-3k6xA:
21.88
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.
3kml COAT PROTEIN

(Tobacco mosaic
virus) 		PF00721
(TMV_coat) 		5 LEU A  34
ILE A  27
ARG A  24
PHE A 110
ALA A  80
 None
 1.32A 3lbdA-3kmlA:
undetectable		 3lbdA-3kmlA:
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ALA A1034
LEU A 899
ARG A1042
ALA A 544
ILE A1030
 None
 1.47A 3lbdA-3ne5A:
undetectable		 3lbdA-3ne5A:
13.84
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.
3npe 9-CIS-EPOXYCAROTENOI
D DIOXYGENASE 1,
CHLOROPLASTIC

(Zea mays) 		PF03055
(RPE65) 		5 ALA A 508
LEU A 450
LEU A 476
SER A 505
GLY A 429
 None
 1.23A 3lbdA-3npeA:
undetectable		 3lbdA-3npeA:
19.39
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.
3oee ATP SYNTHASE SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ALA A 154
LEU A 354
ILE A 363
GLY A 176
ALA A 179
 None
None
None
ANP  A 600 (-3.0A)
ANP  A 600 (-3.3A)
 1.28A 3lbdA-3oeeA:
undetectable		 3lbdA-3oeeA:
20.04
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		5 ALA A 169
MET A 177
ILE A 176
SER A 197
GLY A  92
 None
 1.26A 3lbdA-3q3qA:
undetectable		 3lbdA-3q3qA:
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 ALA A 169
LEU A 278
LEU A 275
SER A 175
ILE A 110
 None
 1.47A 3lbdA-3rd5A:
undetectable		 3lbdA-3rd5A:
22.47
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT K
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 PHE N 172
ALA K  12
LEU J 104
ALA N 205
ILE J 111
 None
 1.30A 3lbdA-3rkoN:
undetectable		 3lbdA-3rkoN:
19.32
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.
3sdo NITRILOTRIACETATE
MONOOXYGENASE

(Burkholderia
pseudomallei) 		PF00296
(Bac_luciferase) 		5 ALA A  42
LEU A  79
LEU A  82
GLY A  93
ILE A  12
 None
 1.32A 3lbdA-3sdoA:
undetectable		 3lbdA-3sdoA:
20.67
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 LEU A  27
LEU A  30
ARG A  36
SER A  37
ALA A  50
 None
 1.23A 3lbdA-3tr6A:
undetectable		 3lbdA-3tr6A:
25.62
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.
3u2h S-LAYER PROTEIN
MA0829

(Methanosarcina
acetivorans) 		PF07752
(S-layer) 		5 LEU A 525
ILE A 527
SER A 508
PHE A 376
ILE A 391
 None
 1.00A 3lbdA-3u2hA:
undetectable		 3lbdA-3u2hA:
20.89
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ALA A4193
LEU A4200
LEU A4197
ALA A4171
ILE A4162
 None
 1.10A 3lbdA-3vkgA:
undetectable		 3lbdA-3vkgA:
6.39
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.
3zi1 GLYOXALASE
DOMAIN-CONTAINING
PROTEIN 4

(Homo sapiens) 		no annotation 5 ALA A 119
ILE A  89
PHE A  86
GLY A 200
ALA A 198
 None
 1.04A 3lbdA-3zi1A:
undetectable		 3lbdA-3zi1A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 ALA A  13
SER A  39
GLY A 159
ALA A 163
ILE A  10
 None
 1.28A 3lbdA-4a1oA:
undetectable		 3lbdA-4a1oA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 PHE A 144
ALA A 148
SER A 155
ALA A 116
ILE A 188
 None
 1.08A 3lbdA-4adeA:
undetectable		 3lbdA-4adeA:
22.89
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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A

(Aspergillus
nidulans) 		PF07745
(Glyco_hydro_53) 		5 LEU A 180
ILE A 210
SER A 230
PHE A 207
ALA A 155
 None
 1.36A 3lbdA-4bf7A:
undetectable		 3lbdA-4bf7A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gqh CAPSID PROTEIN

(Tobacco mosaic
virus) 		PF00721
(TMV_coat) 		5 LEU A 132
ILE A 125
ARG A 122
PHE A  48
ALA A  18
 None
 1.38A 3lbdA-4gqhA:
undetectable		 3lbdA-4gqhA:
26.20
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.
4hb9 SIMILARITIES WITH
PROBABLE
MONOOXYGENASE

(Photorhabdus
laumondii) 		PF01494
(FAD_binding_3) 		5 ALA A 160
LEU A 340
LEU A 315
ILE A 319
ILE A   5
 None
 0.92A 3lbdA-4hb9A:
undetectable		 3lbdA-4hb9A:
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.
4hqz THIOREDOXIN FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF00578
(AhpC-TSA) 		5 PHE A 181
ALA A 177
LEU A  91
LEU A  94
ILE A 172
 None
 1.05A 3lbdA-4hqzA:
undetectable		 3lbdA-4hqzA:
24.36
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.
4imp POLYKETIDE SYNTHASE
EXTENDER MODULES 3-4

(Saccharopolyspora
spinosa) 		PF08659
(KR) 		5 ALA A 298
LEU A 290
LEU A 325
GLY A 316
ILE A 286
 None
 1.22A 3lbdA-4impA:
undetectable		 3lbdA-4impA:
21.63
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.
4joq ABC RIBOSE
TRANSPORTER,
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		5 ALA A 218
MET A 231
ILE A 234
ARG A 239
ALA A 267
 None
 1.42A 3lbdA-4joqA:
undetectable		 3lbdA-4joqA:
21.59
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.
4lhe THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Bacillus sp.
H-257) 		PF12146
(Hydrolase_4) 		5 ALA A 188
ILE A 113
GLY A  95
ALA A 121
ILE A 190
 None
 1.25A 3lbdA-4lheA:
undetectable		 3lbdA-4lheA:
21.09
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.
4mf9 HEMIN DEGRADING
FACTOR

(Pseudomonas
aeruginosa) 		PF05171
(HemS) 		5 ALA A 220
LEU A 214
LEU A 215
GLY A 201
ALA A 197
 None
 1.25A 3lbdA-4mf9A:
undetectable		 3lbdA-4mf9A:
24.02
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.
4oue PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		5 ALA A  97
LEU A 172
LEU A 175
MET A 176
ARG A 129
 None
 1.42A 3lbdA-4oueA:
undetectable		 3lbdA-4oueA:
20.55
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		5 PHE A  85
LEU A 160
ARG A 109
GLY A 165
ALA A 167
 None
 1.38A 3lbdA-4r27A:
undetectable		 3lbdA-4r27A:
20.09
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.
4r2h STIV B204 ATPASE

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 5 ALA A 176
LEU A 189
ILE A 190
GLY A  11
ILE A 168
 None
 1.20A 3lbdA-4r2hA:
undetectable		 3lbdA-4r2hA:
22.45
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.
4tnm IMPORTIN SUBUNIT
ALPHA

(Arabidopsis
thaliana) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 ALA A 268
LEU A 253
LEU A 250
SER A 273
ALA A 224
 None
 1.46A 3lbdA-4tnmA:
undetectable		 3lbdA-4tnmA:
18.63
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.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ALA A 171
LEU A  18
LEU A 196
ILE A 199
ILE A 113
 None
 1.43A 3lbdA-4twiA:
undetectable		 3lbdA-4twiA:
20.57
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.
4uad IMPORTIN SUBUNIT
ALPHA-7

(Homo sapiens) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 ALA A 275
LEU A 260
LEU A 257
SER A 280
ALA A 230
 None
 1.45A 3lbdA-4uadA:
undetectable		 3lbdA-4uadA:
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.
4w82 FATTY ACID SYNTHASE

(Homo sapiens) 		PF00107
(ADH_zinc_N) 		5 ALA A1579
LEU A1622
LEU A1599
ALA A1839
ILE A1544
 None
 1.08A 3lbdA-4w82A:
undetectable		 3lbdA-4w82A:
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.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 ALA A  39
LEU A  69
MET A  49
ILE A  42
ILE A  55
 None
 1.41A 3lbdA-4wjsA:
undetectable		 3lbdA-4wjsA:
18.72
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.
4yzo PUTATIVE ACYL-COA
ACYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 330
ILE A   9
SER A 335
GLY A 323
ILE A  83
 None
PEG  A 402 ( 4.0A)
PEG  A 402 (-3.1A)
None
None
 1.44A 3lbdA-4yzoA:
undetectable		 3lbdA-4yzoA:
20.10
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.
5d6o HOMOSERINE
O-ACETYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00561
(Abhydrolase_1) 		5 PHE A 347
ALA A  75
ILE A  83
SER A  79
GLY A 140
 None
 1.22A 3lbdA-5d6oA:
undetectable		 3lbdA-5d6oA:
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.
5dp1 CURK

(Moorea
producens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 181
LEU A 194
LEU A 191
SER A 202
ILE A 179
 None
 1.39A 3lbdA-5dp1A:
undetectable		 3lbdA-5dp1A:
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.
5eov 16S/23S RRNA
(CYTIDINE-2'-O)-METH
YLTRANSFERASE TLYA

(Mycobacterium
tuberculosis) 		PF01728
(FtsJ) 		5 ALA A 166
LEU A 155
ILE A 177
GLY A  90
ALA A 111
 None
 1.38A 3lbdA-5eovA:
undetectable		 3lbdA-5eovA:
25.17
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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 PHE A 169
LEU A 383
MET A 381
GLY A 243
ALA A  37
 None
UDP  A 501 (-4.0A)
None
None
None
 1.31A 3lbdA-5huuA:
undetectable		 3lbdA-5huuA:
20.65
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.
5iuy MULTIDRUG EFFLUX
OUTER MEMBRANE
PROTEIN OPRN

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		5 ALA A  15
LEU A 439
LEU A 261
GLY A 256
ILE A  17
 None
 1.29A 3lbdA-5iuyA:
undetectable		 3lbdA-5iuyA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		5 ALA A 135
ILE A 197
SER A 195
ALA A 228
ILE A 217
 None
 1.28A 3lbdA-5j78A:
undetectable		 3lbdA-5j78A:
23.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k13 RETINOIC ACID
RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 269
ILE A 273
ARG A 276
GLY A 391
ILE A 410
 6Q7  A 501 (-3.7A)
6Q7  A 501 ( 3.9A)
6Q7  A 501 (-3.2A)
6Q7  A 501 ( 4.1A)
None
 1.35A 3lbdA-5k13A:
36.3		 3lbdA-5k13A:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k13 RETINOIC ACID
RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 228
LEU A 266
LEU A 269
ARG A 276
PHE A 302
GLY A 391
 6Q7  A 501 (-3.9A)
6Q7  A 501 (-4.2A)
6Q7  A 501 (-3.7A)
6Q7  A 501 (-3.2A)
6Q7  A 501 ( 4.3A)
6Q7  A 501 ( 4.1A)
 0.60A 3lbdA-5k13A:
36.3		 3lbdA-5k13A:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k13 RETINOIC ACID
RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 228
LEU A 266
LEU A 269
SER A 287
PHE A 302
GLY A 391
 6Q7  A 501 (-3.9A)
6Q7  A 501 (-4.2A)
6Q7  A 501 (-3.7A)
6Q7  A 501 (-2.9A)
6Q7  A 501 ( 4.3A)
6Q7  A 501 ( 4.1A)
 0.83A 3lbdA-5k13A:
36.3		 3lbdA-5k13A:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k13 RETINOIC ACID
RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 228
LEU A 269
ILE A 273
ARG A 276
PHE A 302
GLY A 391
 6Q7  A 501 (-3.9A)
6Q7  A 501 (-3.7A)
6Q7  A 501 ( 3.9A)
6Q7  A 501 (-3.2A)
6Q7  A 501 ( 4.3A)
6Q7  A 501 ( 4.1A)
 0.52A 3lbdA-5k13A:
36.3		 3lbdA-5k13A:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k13 RETINOIC ACID
RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 228
LEU A 269
ILE A 273
SER A 287
PHE A 302
GLY A 391
 6Q7  A 501 (-3.9A)
6Q7  A 501 (-3.7A)
6Q7  A 501 ( 3.9A)
6Q7  A 501 (-2.9A)
6Q7  A 501 ( 4.3A)
6Q7  A 501 ( 4.1A)
 0.75A 3lbdA-5k13A:
36.3		 3lbdA-5k13A:
82.16
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.
5nop ATTACHMENT
GLYCOPROTEIN

(Mojiang
henipavirus) 		PF00423
(HN) 		5 PHE A 314
LEU A 415
MET A 365
GLY A 429
ILE A 333
 None
 1.30A 3lbdA-5nopA:
undetectable		 3lbdA-5nopA:
19.12
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ALA A4102
LEU A4109
LEU A4106
ALA A4080
ILE A4071
 None
 1.42A 3lbdA-5nugA:
undetectable		 3lbdA-5nugA:
4.48
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.
5o04 NANOBODY (VHH)
NANO-26

(Vicugna pacos) 		PF07686
(V-set) 		5 ALA E  24
LEU E   4
SER E  21
ALA E 102
ILE E  27
 None
 1.45A 3lbdA-5o04E:
undetectable		 3lbdA-5o04E:
16.85
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.
5odo ISOMERASE

(Rhodococcus
erythropolis) 		no annotation 5 PHE A 344
ALA A 321
ILE A 301
SER A 305
PHE A 504
 None
 1.31A 3lbdA-5odoA:
undetectable		 3lbdA-5odoA:
22.49
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.
5tuk TETRACYCLINE
DESTRUCTASE TET(51)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		5 ALA A 155
ILE A  14
ARG A 105
ALA A 313
ILE A 153
 None
FAD  A 402 (-3.6A)
FAD  A 402 (-3.4A)
None
None
 0.98A 3lbdA-5tukA:
undetectable		 3lbdA-5tukA:
23.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		no annotation 10 PHE B 221
ALA B 225
LEU B 259
LEU B 262
ILE B 266
ARG B 269
SER B 280
PHE B 295
GLY B 384
ILE B 403
 REA  B 503 ( 4.8A)
REA  B 503 (-3.8A)
None
REA  B 503 (-3.9A)
REA  B 503 (-3.6A)
REA  B 503 ( 4.8A)
REA  B 503 (-2.1A)
REA  B 503 ( 4.0A)
REA  B 503 ( 4.4A)
REA  B 503 ( 4.7A)
 0.60A 3lbdA-5uanB:
37.8		 3lbdA-5uanB:
64.46
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.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 ALA A 338
ILE A 424
PHE A 429
GLY A 356
ALA A 322
 None
 1.07A 3lbdA-5vlhA:
undetectable		 3lbdA-5vlhA:
19.83
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 PHE A 197
LEU A 226
ILE A 228
SER A 233
GLY A 201
 None
 1.20A 3lbdA-5wblA:
undetectable		 3lbdA-5wblA:
17.26
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.
5xdm SEPTUM
SITE-DETERMINING
PROTEIN MINC

(Escherichia
coli) 		no annotation 5 ALA A  70
SER A  73
GLY A  66
ALA A  87
ILE A  80
 None
 1.23A 3lbdA-5xdmA:
undetectable		 3lbdA-5xdmA:
15.36
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 ALA A 309
LEU A 326
MET A 327
ARG A 251
ALA A 357
 8H6  A 502 ( 4.5A)
None
None
NAP  A 501 (-3.6A)
None
 1.44A 3lbdA-5xwwA:
undetectable		 3lbdA-5xwwA:
22.08
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.
6bii GLYOXYLATE REDUCTASE

(Pyrococcus
yayanosii) 		no annotation 5 PHE A  23
ALA A  48
GLY A 314
ALA A 310
ILE A  70
 None
 1.40A 3lbdA-6biiA:
undetectable		 3lbdA-6biiA:
14.12
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.
6fx0 RETINOIC ACID
RECEPTOR GAMMA

(Homo sapiens) 		no annotation 11 PHE A 230
ALA A 234
LEU A 268
LEU A 271
ILE A 275
ARG A 278
SER A 289
PHE A 304
GLY A 393
ALA A 397
ILE A 412
 E9T  A 501 (-4.3A)
E9T  A 501 (-3.7A)
E9T  A 501 (-4.9A)
E9T  A 501 (-3.6A)
E9T  A 501 (-3.8A)
E9T  A 501 (-3.1A)
E9T  A 501 (-2.6A)
E9T  A 501 (-4.2A)
E9T  A 501 (-3.7A)
E9T  A 501 ( 3.9A)
E9T  A 501 ( 4.8A)
 0.49A 3lbdA-6fx0A:
39.9		 3lbdA-6fx0A:
16.80
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.
6fx0 RETINOIC ACID
RECEPTOR GAMMA

(Homo sapiens) 		no annotation 8 PHE A 230
ALA A 234
LEU A 271
MET A 272
ILE A 275
ARG A 278
SER A 289
PHE A 304
 E9T  A 501 (-4.3A)
E9T  A 501 (-3.7A)
E9T  A 501 (-3.6A)
None
E9T  A 501 (-3.8A)
E9T  A 501 (-3.1A)
E9T  A 501 (-2.6A)
E9T  A 501 (-4.2A)
 0.73A 3lbdA-6fx0A:
39.9		 3lbdA-6fx0A:
16.80