SIMILAR PATTERNS OF AMINO ACIDS FOR 3Q95_A_ESLA700_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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 ALA B 173
LEU B 153
LEU B 152
ILE B 493
GLY B 491
 None
 0.99A 3q95A-1a6dB:
undetectable		 3q95A-1a6dB:
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.
1ef1 MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		6 LEU A 125
ALA A 129
LEU A 192
ILE A 115
GLY A 109
LEU A 111
 None
 1.28A 3q95A-1ef1A:
undetectable		 3q95A-1ef1A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyn FRUCTOSE-BISPHOSPHAT
E ALDOLASE II

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		5 LEU A 116
LEU A 115
ILE A  83
GLY A 121
LEU A 123
 None
 0.87A 3q95A-1gynA:
undetectable		 3q95A-1gynA:
21.39
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.13A 3q95A-1loxA:
undetectable		 3q95A-1loxA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		5 LEU D 349
LEU D 405
ILE D 469
GLY D 178
LEU D 180
 None
 0.98A 3q95A-1mtyD:
undetectable		 3q95A-1mtyD:
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.
1mvl PPC DECARBOXYLASE
ATHAL3A

(Arabidopsis
thaliana) 		PF02441
(Flavoprotein) 		5 LEU A  23
ALA A  25
LEU A 122
LEU A 121
LEU A 135
 None
 1.06A 3q95A-1mvlA:
undetectable		 3q95A-1mvlA:
22.96
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.
1nig HYPOTHETICAL PROTEIN
TA1238

(Thermoplasma
acidophilum) 		PF09155
(DUF1940) 		5 LEU A 102
ALA A 106
GLU A  26
GLY A  35
LEU A  34
 None
 1.12A 3q95A-1nigA:
undetectable		 3q95A-1nigA:
20.78
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.
1nkl NK-LYSIN

(Sus scrofa) 		PF05184
(SapB_1) 		5 MET A  49
GLU A  24
LEU A  61
ILE A  69
LEU A  14
 None
 1.07A 3q95A-1nklA:
undetectable		 3q95A-1nklA:
14.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 MET A 343
LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.33A 3q95A-1pcgA:
37.7		 3q95A-1pcgA:
98.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 MET A 343
LEU A 346
LEU A 402
ILE A 424
GLY A 521
HIS A 524
 EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
None
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
 1.34A 3q95A-1pcgA:
37.7		 3q95A-1pcgA:
98.36
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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		5 ALA A 175
LEU A 155
LEU A 154
ILE A 495
GLY A 493
 None
 1.04A 3q95A-1q3sA:
2.1		 3q95A-1q3sA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rr9 ATP-DEPENDENT
PROTEASE LA

(Escherichia
coli) 		PF05362
(Lon_C) 		5 LEU A 767
ALA A 770
LEU A 735
ILE A 707
GLY A 681
 None
 1.01A 3q95A-1rr9A:
undetectable		 3q95A-1rr9A:
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
LEU A 226
LEU A 224
ILE A  51
LEU A  63
 None
 1.09A 3q95A-1sgvA:
undetectable		 3q95A-1sgvA:
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 LEU A 229
LEU A 193
LEU A 192
ILE A 187
GLY A  88
 None
 1.14A 3q95A-1uaaA:
undetectable		 3q95A-1uaaA:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 343
LEU A 380
ARG A 387
ILE A 499
GLY A 500
 MEI  A1001 (-3.3A)
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
None
 1.03A 3q95A-1uhlA:
25.8		 3q95A-1uhlA:
31.42
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.
1v9n MALATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF02615
(Ldh_2) 		5 LEU A 172
ALA A 135
ILE A 321
GLY A 323
HIS A 322
 None
None
None
NDP  A 401 (-3.2A)
NDP  A 401 (-3.3A)
 1.11A 3q95A-1v9nA:
undetectable		 3q95A-1v9nA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 ALA A 138
GLU A 139
LEU B 137
ILE B 314
GLY B 315
 None
 1.10A 3q95A-1wytA:
undetectable		 3q95A-1wytA:
20.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.56A 3q95A-1xb7A:
28.6		 3q95A-1xb7A:
32.03
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
LEU A 283
ARG A 290
ILE A 402
GLY A 403
 9CR  A 201 (-3.6A)
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
None
None
 0.94A 3q95A-1xiuA:
23.0		 3q95A-1xiuA:
28.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
None
 1.00A 3q95A-1xlsA:
26.0		 3q95A-1xlsA:
30.48
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 LEU A 207
LEU A 206
ILE A  92
GLY A 239
LEU A 236
 None
 0.97A 3q95A-1ybfA:
undetectable		 3q95A-1ybfA:
21.93
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.
1yz6 PROBABLE TRANSLATION
INITIATION FACTOR 2
ALPHA SUBUNIT

(Pyrococcus
abyssi) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		5 ALA A  17
LEU A  80
LEU A  82
ILE A  54
GLY A  26
 None
 1.11A 3q95A-1yz6A:
undetectable		 3q95A-1yz6A:
19.38
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.
2aj4 GALACTOKINASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 405
LEU A 429
ILE A  61
GLY A  58
LEU A  69
 None
 1.07A 3q95A-2aj4A:
undetectable		 3q95A-2aj4A:
17.85
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.
2dh4 YPL069C

(Saccharomyces
cerevisiae) 		PF00348
(polyprenyl_synt) 		5 LEU A 185
ALA A 188
LEU A 128
ILE A  64
LEU A  57
 None
 1.09A 3q95A-2dh4A:
undetectable		 3q95A-2dh4A:
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.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ALA A 105
LEU A 160
ILE A 142
GLY A  42
HIS A  94
 None
 0.98A 3q95A-2e4uA:
undetectable		 3q95A-2e4uA:
18.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 268
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 (-4.1A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.59A 3q95A-2gpvA:
27.4		 3q95A-2gpvA:
36.26
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.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		5 LEU D 103
LEU D 104
ARG D 221
ILE D 236
GLY D  96
 None
 1.03A 3q95A-2j5gD:
undetectable		 3q95A-2j5gD:
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.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		5 LEU D 158
LEU D 103
LEU D 104
ARG D 221
ILE D 236
 None
 1.05A 3q95A-2j5gD:
undetectable		 3q95A-2j5gD:
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.
2jpe NUCLEAR INHIBITOR OF
PROTEIN PHOSPHATASE
1

(Mus musculus) 		PF00498
(FHA) 		5 LEU A  85
LEU A  29
ILE A  62
GLY A  52
HIS A  71
 None
 1.13A 3q95A-2jpeA:
undetectable		 3q95A-2jpeA:
19.92
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.
2jug TUBC PROTEIN

(Archangium
disciforme) 		no annotation 5 LEU A  52
ALA A  54
LEU A  11
LEU A  10
GLY A  18
 None
 1.00A 3q95A-2jugA:
undetectable		 3q95A-2jugA:
18.93
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.
2o08 BH1327 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		5 LEU A  32
ALA A  43
LEU A 119
LEU A 118
ILE A 153
 PG4  A 503 (-4.7A)
None
None
None
None
 1.09A 3q95A-2o08A:
undetectable		 3q95A-2o08A:
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.
2o5v DNA REPLICATION AND
REPAIR PROTEIN RECF

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 LEU A 135
ALA A 133
ARG A 279
GLY A 147
LEU A 150
 None
 1.15A 3q95A-2o5vA:
undetectable		 3q95A-2o5vA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 MET A 343
LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.44A 3q95A-2ocfA:
37.4		 3q95A-2ocfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 MET A 343
LEU A 346
LEU A 402
ILE A 424
GLY A 521
HIS A 524
 EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
None
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
 1.30A 3q95A-2ocfA:
37.4		 3q95A-2ocfA:
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.
2pjq UNCHARACTERIZED
PROTEIN LP_2664

(Lactobacillus
plantarum) 		PF01966
(HD) 		5 ALA A  37
LEU A  52
LEU A  50
ILE A  97
HIS A  58
 None
 0.98A 3q95A-2pjqA:
undetectable		 3q95A-2pjqA:
21.43
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		5 LEU A 516
ALA A 464
MET A 442
ILE A 519
HIS A 549
 None
 1.09A 3q95A-2qzpA:
undetectable		 3q95A-2qzpA:
19.86
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.
2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Paraburkholderia
phytofirmans) 		PF13407
(Peripla_BP_4) 		5 ALA A  44
LEU A  92
LEU A  93
ILE A  86
GLY A  85
 None
 0.99A 3q95A-2rjoA:
undetectable		 3q95A-2rjoA:
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.
2x7x SENSOR PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13407
(Peripla_BP_4) 		5 ALA A 201
GLU A 204
LEU A 160
ILE A 247
GLY A 246
 None
 0.76A 3q95A-2x7xA:
undetectable		 3q95A-2x7xA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3anp TRANSCRIPTIONAL
REPRESSOR, TETR
FAMILY

(Thermus
thermophilus) 		no annotation 5 LEU C 139
ARG C 196
ILE C 132
GLY C 155
LEU C 151
 None
 1.05A 3q95A-3anpC:
undetectable		 3q95A-3anpC:
21.54
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.
3d31 SULFATE/MOLYBDATE
ABC TRANSPORTER,
ATP-BINDING PROTEIN
SULFATE/MOLYBDATE
ABC TRANSPORTER,
PERMEASE PROTEIN

(Methanosarcina
acetivorans) 		PF00005
(ABC_tran)
PF00528
(BPD_transp_1)
PF03459
(TOBE) 		5 LEU A 142
ALA A 137
LEU A 151
ILE A  74
LEU C 177
 None
 1.04A 3q95A-3d31A:
undetectable		 3q95A-3d31A:
23.68
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.
3d7n FLAVODOXIN,
WRBA-LIKE PROTEIN

(Agrobacterium
fabrum) 		PF03358
(FMN_red) 		5 ALA A  77
LEU A  52
ILE A  59
GLY A  95
LEU A 114
 None
 1.05A 3q95A-3d7nA:
undetectable		 3q95A-3d7nA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dh9 THIOREDOXIN
REDUCTASE 1

(Drosophila
melanogaster) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 284
LEU A 282
LEU A 191
ILE A 242
GLY A 204
 None
 0.95A 3q95A-3dh9A:
undetectable		 3q95A-3dh9A:
19.72
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A7223 (-4.2A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
None
None
 0.99A 3q95A-3dzuA:
25.5		 3q95A-3dzuA:
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.
3e02 UNCHARACTERIZED
PROTEIN DUF849

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		5 ALA A  99
LEU A  94
ARG A 156
GLY A  89
HIS A  51
 None
EDO  A 320 (-4.5A)
EDO  A 320 (-4.5A)
None
ZN  A 311 (-3.4A)
 1.10A 3q95A-3e02A:
undetectable		 3q95A-3e02A:
23.82
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.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 246
LEU A  34
MET A  35
LEU A  38
ILE A  53
 None
 1.07A 3q95A-3goaA:
undetectable		 3q95A-3goaA:
21.16
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.
3ilv GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Cytophaga
hutchinsonii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLU A  53
ARG A 603
ILE A 229
GLY A 222
LEU A 220
 None
 1.07A 3q95A-3ilvA:
undetectable		 3q95A-3ilvA:
17.40
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.
3inp D-RIBULOSE-PHOSPHATE
3-EPIMERASE

(Francisella
tularensis) 		PF00834
(Ribul_P_3_epim) 		5 LEU A 174
ALA A 195
ILE A 133
GLY A 114
LEU A 137
 None
 1.12A 3q95A-3inpA:
undetectable		 3q95A-3inpA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		5 ALA A   9
LEU A  26
LEU A  27
ILE A  20
GLY A  19
 None
 1.11A 3q95A-3ioyA:
undetectable		 3q95A-3ioyA:
21.21
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.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 ALA H 125
LEU H 100
ILE H  76
GLY H 103
HIS H 109
 None
 1.02A 3q95A-3jtlH:
undetectable		 3q95A-3jtlH:
20.99
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.
3kh1 PREDICTED
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Magnetospirillum
magnetotacticum) 		PF13023
(HD_3) 		5 LEU A 180
ALA A 184
LEU A 145
LEU A 146
ILE A  47
 None
 1.07A 3q95A-3kh1A:
2.4		 3q95A-3kh1A:
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
LEU A 156
ILE A  95
LEU A 103
 None
 1.01A 3q95A-3kn1A:
undetectable		 3q95A-3kn1A:
23.53
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.
3kum DIPEPTIDE EPIMERASE

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 118
LEU A 344
ILE A 301
GLY A 300
LEU A 265
 None
 1.15A 3q95A-3kumA:
undetectable		 3q95A-3kumA:
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ALA A 213
LEU A 302
LEU A 236
GLY A 343
LEU A 347
 None
 1.15A 3q95A-3lkdA:
undetectable		 3q95A-3lkdA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 LEU B 375
ALA B 378
LEU B 408
HIS B 575
LEU B 539
 None
 1.11A 3q95A-3p8cB:
undetectable		 3q95A-3p8cB:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 ALA A  88
LEU A  83
LEU A  82
ILE A 253
LEU A 285
 None
 1.15A 3q95A-3qghA:
undetectable		 3q95A-3qghA:
18.88
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.06A 3q95A-3rdeA:
undetectable		 3q95A-3rdeA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT K
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 LEU K  68
LEU N 134
ILE K  75
GLY J 151
LEU J 148
 None
 1.12A 3q95A-3rkoK:
undetectable		 3q95A-3rkoK:
18.75
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.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ALA A  80
LEU A 135
ILE A 117
GLY A  17
HIS A  69
 None
 1.03A 3q95A-3sm9A:
undetectable		 3q95A-3sm9A:
19.04
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.
4g3m RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Bacillus
subtilis) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 LEU A  71
ALA A 130
GLU A 131
ARG A 142
ILE A 111
 None
 1.03A 3q95A-4g3mA:
undetectable		 3q95A-4g3mA:
21.00
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.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		5 LEU A 164
ALA A 162
LEU A 126
LEU A 123
ILE A 144
 None
 1.14A 3q95A-4ifrA:
undetectable		 3q95A-4ifrA:
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
LEU D 309
ARG D 316
ILE D 345
LEU D 436
 None
 0.97A 3q95A-4j5xD:
24.5		 3q95A-4j5xD:
28.91
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
LEU D 309
ARG D 316
ILE D 428
GLY D 429
 None
 0.96A 3q95A-4j5xD:
24.5		 3q95A-4j5xD:
28.91
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 ALA E 290
LEU E 288
LEU E 194
ILE E 245
GLY E 207
 None
 0.95A 3q95A-4kprE:
undetectable		 3q95A-4kprE:
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.
4lu1 MAF-LIKE PROTEIN
YCEF

(Escherichia
coli) 		PF02545
(Maf) 		5 LEU A 108
ALA A  53
GLY A 114
HIS A 115
LEU A 116
 None
 1.03A 3q95A-4lu1A:
undetectable		 3q95A-4lu1A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 LEU A 182
ALA A 243
ARG A 261
ILE A 390
GLY A 173
 EDO  A 602 ( 4.8A)
None
None
None
None
 1.11A 3q95A-4n03A:
undetectable		 3q95A-4n03A:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 ALA A 287
GLU A 290
LEU A 324
ARG A 331
GLY A 444
 None
 0.99A 3q95A-4n1yA:
31.5		 3q95A-4n1yA:
38.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		7 LEU A 283
ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 447
 None
 0.69A 3q95A-4n1yA:
31.5		 3q95A-4n1yA:
38.58
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.
4rm9 EZRIN

(Homo sapiens) 		PF00373
(FERM_M)
PF00769
(ERM)
PF09379
(FERM_N)
PF09380
(FERM_C) 		6 LEU A 125
ALA A 129
LEU A 192
ILE A 115
GLY A 109
LEU A 111
 None
 1.21A 3q95A-4rm9A:
undetectable		 3q95A-4rm9A:
16.41
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 MET B 259
LEU B 262
ALA B 265
LEU B 319
LEU B 441
 None
 0.99A 3q95A-4tx2B:
undetectable		 3q95A-4tx2B:
21.15
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 769
ALA A 773
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.36A 3q95A-4udbA:
28.0		 3q95A-4udbA:
27.40
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 305
LEU A 286
ARG A 272
GLY A 162
LEU A 159
 None
None
None
None
VFV  A 580 (-4.5A)
 1.03A 3q95A-4uhiA:
undetectable		 3q95A-4uhiA:
21.57
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.
4uoo LIPOTEICHOIC ACID
SYNTHASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		5 ALA A 338
LEU A 536
LEU A 314
ILE A 516
LEU A 543
 None
 1.15A 3q95A-4uooA:
undetectable		 3q95A-4uooA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w4t MXAA

(Stigmatella
aurantiaca) 		PF07993
(NAD_binding_4) 		5 LEU A1224
GLU A1226
ARG A1272
ILE A1217
GLY A1218
 None
ACT  A1601 (-2.8A)
ACT  A1601 (-3.0A)
None
None
 1.12A 3q95A-4w4tA:
undetectable		 3q95A-4w4tA:
21.99
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.
4y0a SHIKIMATE KINASE

(Acinetobacter
baumannii) 		PF01202
(SKI) 		5 LEU A  23
LEU A  90
ILE A 113
GLY A 112
LEU A 108
 None
 0.99A 3q95A-4y0aA:
undetectable		 3q95A-4y0aA:
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.
5aar POTASSIUM CHANNEL
AKT1

(Arabidopsis
thaliana) 		PF12796
(Ank_2) 		5 ALA A 651
LEU A 631
LEU A 630
ILE A 610
GLY A 639
 None
 0.98A 3q95A-5aarA:
undetectable		 3q95A-5aarA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A  31
ALA A  35
GLY A  56
HIS A  57
LEU A  55
 None
 1.07A 3q95A-5bz4A:
undetectable		 3q95A-5bz4A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 LEU A 104
ALA A 101
LEU A  64
ILE A  82
GLY A  47
 None
 1.10A 3q95A-5c54A:
undetectable		 3q95A-5c54A:
22.96
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ALA A  98
LEU A 154
ILE A 136
GLY A  35
HIS A  87
 None
 0.90A 3q95A-5cniA:
undetectable		 3q95A-5cniA:
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		5 MET A 177
ALA A  82
ILE A 153
GLY A 265
HIS A 266
 None
None
None
HEM  A 501 (-3.2A)
None
 0.97A 3q95A-5e78A:
undetectable		 3q95A-5e78A:
20.43
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 LEU A 317
ALA A 315
LEU A  22
ILE A   9
GLY A  16
 None
 1.10A 3q95A-5eowA:
undetectable		 3q95A-5eowA:
21.39
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.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		5 ALA A 283
ARG A 289
ILE A   8
GLY A  15
LEU A  14
 None
 1.09A 3q95A-5gz1A:
undetectable		 3q95A-5gz1A:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 LEU A 310
ALA A 159
LEU A 325
ILE A 217
GLY A  37
 None
None
None
None
61P  A 406 ( 4.0A)
 1.10A 3q95A-5hctA:
undetectable		 3q95A-5hctA:
18.76
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.
5jd3 LAE5

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 158
MET A 159
ARG A 165
ILE A  90
GLY A  91
 None
 1.07A 3q95A-5jd3A:
undetectable		 3q95A-5jd3A:
21.95
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 LEU A 465
ALA A 460
LEU A 481
ILE A 455
GLY A 456
 None
None
EDO  A1009 ( 3.5A)
None
None
 1.15A 3q95A-5kdxA:
undetectable		 3q95A-5kdxA:
14.46
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.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ALA A  98
LEU A 154
ILE A 136
GLY A  35
HIS A  87
 None
 0.97A 3q95A-5kznA:
undetectable		 3q95A-5kznA:
16.70
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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ALA A  78
LEU A 105
LEU A 108
ILE A  90
GLY A  30
 None
 1.10A 3q95A-5l2eA:
undetectable		 3q95A-5l2eA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlv -

(-) 		no annotation 5 MET G 202
LEU G 219
ALA G 223
LEU G 177
MET G 176
 None
 0.96A 3q95A-5mlvG:
undetectable		 3q95A-5mlvG:
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.
5n56 SUPEROXIDE DISMUTASE
[MN/FE] 1

(Staphylococcus
aureus) 		no annotation 5 LEU A  83
LEU A 150
ILE A  53
GLY A  75
HIS A  78
 None
 1.11A 3q95A-5n56A:
undetectable		 3q95A-5n56A:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		5 LEU A 447
LEU A 523
ILE A 574
GLY A 529
LEU A 530
 None
 1.15A 3q95A-5nvrA:
undetectable		 3q95A-5nvrA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 LEU A 310
ALA A 159
LEU A 325
ILE A 217
GLY A  37
 None
 1.09A 3q95A-5p60A:
undetectable		 3q95A-5p60A:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 302
GLU A 305
ARG A 346
ILE A 373
LEU A 476
 EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-4.1A)
None
EST  A 601 (-3.5A)
 1.11A 3q95A-5toaA:
31.5		 3q95A-5toaA:
56.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 MET A 294
LEU A 298
GLU A 305
MET A 340
LEU A 343
ARG A 346
ILE A 376
 None
EST  A 601 (-4.1A)
EST  A 601 (-2.4A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
 1.44A 3q95A-5toaA:
31.5		 3q95A-5toaA:
56.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 MET A 295
LEU A 298
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
ILE A 376
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.37A 3q95A-5toaA:
31.5		 3q95A-5toaA:
56.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 MET A 295
LEU A 298
LEU A 354
ILE A 376
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 1.38A 3q95A-5toaA:
31.5		 3q95A-5toaA:
56.32
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.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		5 ALA A 193
GLU A 142
LEU A 146
GLY A 152
LEU A 149
 None
 1.05A 3q95A-5u4nA:
undetectable		 3q95A-5u4nA:
20.99
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 5 ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
 9CR  A 503 (-3.5A)
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
None
None
 1.07A 3q95A-5uanA:
25.5		 3q95A-5uanA:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 ALA A 563
LEU A 242
ILE A 519
GLY A 518
LEU A 555
 None
 1.12A 3q95A-5xdrA:
undetectable		 3q95A-5xdrA:
17.42
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.
5xu1 ABC TRANSPORTER
PERMEAE

(Streptococcus
pneumoniae) 		no annotation 5 ALA M 363
LEU M 367
LEU M 368
ILE M 373
GLY M 375
 None
 1.14A 3q95A-5xu1M:
undetectable		 3q95A-5xu1M:
15.77
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 5 LEU A 901
LEU A 653
LEU A 905
ILE A 705
GLY A 646
 None
 1.14A 3q95A-6brrA:
undetectable		 3q95A-6brrA:
16.60
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.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 5 LEU E 458
LEU E 457
GLY E 463
HIS E 464
LEU E 465
 None
 1.01A 3q95A-6d04E:
undetectable		 3q95A-6d04E:
15.70