SIMILAR PATTERNS OF AMINO ACIDS FOR 1G50_B_ESTB1600

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.
1cau CANAVALIN

(Canavalia
ensiformis) 		PF00190
(Cupin_1) 		5 LEU B 356
LEU B 340
LEU B 306
MET B 288
GLY B 311
 None
 1.23A 1g50B-1cauB:
undetectable		 1g50B-1cauB:
20.31
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.
1e0k DNA HELICASE

(Escherichia
virus T7) 		PF03796
(DnaB_C) 		5 MET A 309
MET A 446
ILE A 442
GLY A 488
LEU A 486
 None
 1.14A 1g50B-1e0kA:
undetectable		 1g50B-1e0kA:
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.
1gcw PROTEIN (HEMOGLOBIN)

(Mustelus
griseus) 		PF00042
(Globin) 		5 LEU A 109
GLU A 103
LEU A 128
ILE A  63
GLY A  25
 None
 1.10A 1g50B-1gcwA:
undetectable		 1g50B-1gcwA:
18.22
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.
1kj9 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE 2

(Escherichia
coli) 		PF02222
(ATP-grasp) 		5 LEU A  67
MET A  61
LEU A  62
ILE A  83
GLY A  19
 None
None
None
CL  A 399 ( 4.4A)
None
 1.25A 1g50B-1kj9A:
undetectable		 1g50B-1kj9A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lpe APOLIPOPROTEIN E3

(Homo sapiens) 		PF01442
(Apolipoprotein) 		5 LEU A  51
GLU A 121
LEU A 133
LEU A 137
ARG A 114
 None
 1.18A 1g50B-1lpeA:
2.5		 1g50B-1lpeA:
18.58
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.
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
 1.27A 1g50B-1nklA:
undetectable		 1g50B-1nklA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		5 LEU A  66
GLU A 163
ILE A  41
GLY A  87
LEU A  34
 None
 1.20A 1g50B-1oa1A:
undetectable		 1g50B-1oa1A:
18.90
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
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
MET A 421
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 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.43A 1g50B-1pcgA:
37.4		 1g50B-1pcgA:
98.77
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 LEU A 155
LEU A  71
ILE A  77
GLY A  79
LEU A 129
 None
 1.16A 1g50B-1pwwA:
0.7		 1g50B-1pwwA:
15.23
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.
1pxy FIMBRIN-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF00307
(CH) 		5 LEU A 612
LEU A 553
LEU A 554
GLY A 547
LEU A 544
 None
 0.96A 1g50B-1pxyA:
undetectable		 1g50B-1pxyA:
21.84
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.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		5 GLU A 136
LEU A 126
ILE A 200
GLY A 196
LEU A 195
 None
 1.25A 1g50B-1s5pA:
undetectable		 1g50B-1s5pA:
22.10
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 120
LEU A  10
LEU A  52
ILE A  87
LEU A   7
 None
 1.23A 1g50B-1v10A:
undetectable		 1g50B-1v10A:
17.14
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.
1wve 4-CRESOL
DEHYDROGENASE
[HYDROXYLATING]
FLAVOPROTEIN SUBUNIT

(Pseudomonas
putida) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 LEU A 284
LEU A 442
GLY A 421
HIS A 418
LEU A 417
 None
 1.10A 1g50B-1wveA:
undetectable		 1g50B-1wveA:
18.71
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
 0.81A 1g50B-1xb7A:
27.8		 1g50B-1xb7A:
33.20
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.
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
 1.11A 1g50B-1ybfA:
undetectable		 1g50B-1ybfA:
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.
1yrg GTPASE-ACTIVATING
PROTEIN RNA1_SCHPO

(Schizosaccharomyces
pombe) 		no annotation 5 LEU A 212
LEU A 236
LEU A 223
HIS A 206
LEU A 209
 None
 1.23A 1g50B-1yrgA:
undetectable		 1g50B-1yrgA:
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 LEU I 224
ILE I 412
GLY I 231
HIS I 232
LEU I 233
 None
 1.26A 1g50B-1yveI:
undetectable		 1g50B-1yveI:
18.53
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.
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 343
LEU A 363
ILE A  51
GLY A  48
LEU A  59
 None
 1.14A 1g50B-2a2dA:
undetectable		 1g50B-2a2dA:
23.29
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.
2aao CALCIUM-DEPENDENT
PROTEIN KINASE,
ISOFORM AK1

(Arabidopsis
thaliana) 		PF13499
(EF-hand_7) 		5 LEU A  60
LEU A  68
MET A  32
ILE A  36
GLY A  52
 None
 1.14A 1g50B-2aaoA:
undetectable		 1g50B-2aaoA:
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.
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
 1.00A 1g50B-2aj4A:
undetectable		 1g50B-2aj4A:
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.
2d9q GRANULOCYTE
COLONY-STIMULATING
FACTOR RECEPTOR

(Homo sapiens) 		PF06328
(Lep_receptor_Ig) 		5 LEU B 171
LEU B 170
ARG B 167
ILE B 178
GLY B 177
 None
 1.23A 1g50B-2d9qB:
undetectable		 1g50B-2d9qB:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2daw RWD DOMAIN
CONTAINING PROTEIN 2

(Homo sapiens) 		PF05773
(RWD) 		5 MET A  23
LEU A  26
LEU A  79
MET A  83
LEU A  38
 None
 1.23A 1g50B-2dawA:
undetectable		 1g50B-2dawA:
19.05
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		5 LEU A 681
LEU A 694
LEU A 695
MET A 638
GLY A 687
 None
 1.17A 1g50B-2ec5A:
undetectable		 1g50B-2ec5A:
15.93
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.
2f9f FIRST MANNOSYL
TRANSFERASE (WBAZ-1)

(Archaeoglobus
fulgidus) 		PF00534
(Glycos_transf_1) 		5 LEU A  92
LEU A  32
LEU A  30
MET A 146
ILE A 143
 None
 1.19A 1g50B-2f9fA:
undetectable		 1g50B-2f9fA:
21.19
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) 		5 LEU A 268
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 (-4.1A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.65A 1g50B-2gpvA:
26.2		 1g50B-2gpvA:
36.76
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.
2h8q RED FLUORESCENT
PROTEIN DRFP583

(Discosoma sp.) 		PF01353
(GFP) 		5 LEU A 157
GLU A 160
ILE A  79
GLY A 219
HIS A  75
 None
 1.22A 1g50B-2h8qA:
undetectable		 1g50B-2h8qA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1g50B-2j5gD:
undetectable		 1g50B-2j5gD:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		5 LEU D 158
LEU D 103
LEU D 104
ILE D 236
GLY D  96
 None
 1.07A 1g50B-2j5gD:
undetectable		 1g50B-2j5gD:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kig INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE II
ISOFORM

(Mus musculus) 		PF16776
(INPP5B_PH) 		5 LEU A 106
LEU A  59
LEU A  57
GLY A  28
LEU A  30
 None
 1.20A 1g50B-2kigA:
undetectable		 1g50B-2kigA:
20.48
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.
2nrj HBL B PROTEIN

(Bacillus cereus) 		PF05791
(Bacillus_HBL) 		5 LEU A 189
LEU A 235
LEU A 238
MET A  42
GLY A 212
 None
 1.23A 1g50B-2nrjA:
2.3		 1g50B-2nrjA:
21.76
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
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
MET A 421
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 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.66A 1g50B-2ocfA:
35.9		 1g50B-2ocfA:
99.60
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)
 1.37A 1g50B-2ocfA:
35.9		 1g50B-2ocfA:
99.60
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.
2yv3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 318
ARG A  96
ILE A 129
GLY A 309
LEU A 313
 None
 1.24A 1g50B-2yv3A:
undetectable		 1g50B-2yv3A:
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.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		5 LEU A 402
LEU A 428
MET A 510
GLY A 408
HIS A 516
 None
 1.12A 1g50B-3aflA:
undetectable		 1g50B-3aflA:
14.05
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.
3anp TRANSCRIPTIONAL
REPRESSOR, TETR
FAMILY

(Thermus
thermophilus) 		no annotation 5 LEU C 139
LEU C 190
ILE C 132
GLY C 155
LEU C 151
 None
 1.10A 1g50B-3anpC:
undetectable		 1g50B-3anpC:
22.67
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.
3bho CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 5

(Homo sapiens) 		PF13869
(NUDIX_2) 		5 LEU A  84
LEU A  96
LEU A 193
MET A 125
ILE A 128
 None
 1.07A 1g50B-3bhoA:
undetectable		 1g50B-3bhoA:
20.08
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.
3bkh LYTIC
TRANSGLYCOSYLASE

(Pseudomonas
virus phiKZ) 		PF01464
(SLT)
PF01471
(PG_binding_1) 		5 LEU A 196
LEU A 211
ARG A 189
ILE A 182
GLY A 205
 None
 1.10A 1g50B-3bkhA:
undetectable		 1g50B-3bkhA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3byh FIMBRIN ABD2

(Homo sapiens) 		PF00307
(CH) 		5 LEU B 612
LEU B 553
LEU B 554
GLY B 547
LEU B 544
 None
 0.96A 1g50B-3byhB:
undetectable		 1g50B-3byhB:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcf TRANSCRIPTIONAL
REGULATOR OF THE
TETR/ACRR FAMILY

(Thermobifida
fusca) 		PF00440
(TetR_N) 		5 MET A 154
LEU A 157
GLU A 166
ILE A  96
LEU A 111
 None
 1.22A 1g50B-3dcfA:
undetectable		 1g50B-3dcfA:
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.
3euh CHROMOSOME PARTITION
PROTEIN MUKF

(Escherichia
coli) 		PF03882
(KicB)
PF17192
(MukF_M)
PF17193
(MukF_C) 		5 MET A 178
LEU A 208
LEU A 207
GLY A 213
LEU A 215
 None
 1.22A 1g50B-3euhA:
undetectable		 1g50B-3euhA:
21.24
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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 LEU A 504
ARG A 232
MET A 531
GLY A 527
LEU A 481
 None
 1.16A 1g50B-3hjrA:
undetectable		 1g50B-3hjrA:
17.08
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.
3izk CHAPERONIN

(Methanococcus
maripaludis) 		PF00118
(Cpn60_TCP1) 		5 LEU A 482
LEU A 104
LEU A 105
ILE A  19
LEU A  97
 None
 1.25A 1g50B-3izkA:
undetectable		 1g50B-3izkA:
18.24
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.
3jv1 P22 PROTEIN

(Trypanosoma
brucei) 		PF02330
(MAM33) 		5 LEU A 190
GLU A  99
LEU A 130
MET A 134
LEU A 103
 None
 1.13A 1g50B-3jv1A:
undetectable		 1g50B-3jv1A:
26.47
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.
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
 1.13A 1g50B-3kumA:
undetectable		 1g50B-3kumA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kv0 HET-C2

(Podospora
anserina) 		PF08718
(GLTP) 		5 GLU A  46
LEU A  42
ARG A  75
ILE A  36
LEU A 190
 None
 1.13A 1g50B-3kv0A:
undetectable		 1g50B-3kv0A:
23.46
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.
3l0s ADENYLATE KINASE

(Desulfovibrio
gigas) 		PF00406
(ADK) 		5 LEU A  69
LEU A  95
ILE A  34
HIS A  38
LEU A  45
 None
 1.10A 1g50B-3l0sA:
undetectable		 1g50B-3l0sA:
20.77
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.
3lfl GLUTATHIONE
S-TRANSFERASE
OMEGA-1

(Homo sapiens) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		5 MET A 205
GLU A 154
LEU A 153
ILE A 172
GLY A 165
 None
 1.21A 1g50B-3lflA:
undetectable		 1g50B-3lflA:
25.45
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.
3m5w TRYPTOPHANYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00579
(tRNA-synt_1b) 		5 MET A  36
LEU A   7
LEU A  13
MET A  25
GLY A  68
 None
 1.00A 1g50B-3m5wA:
undetectable		 1g50B-3m5wA:
23.34
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.
3obk DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Toxoplasma
gondii) 		PF00490
(ALAD) 		5 GLU A 252
MET A 186
ILE A 156
GLY A 147
HIS A 145
 MG  A 365 (-2.5A)
None
None
None
None
 1.23A 1g50B-3obkA:
undetectable		 1g50B-3obkA:
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.
3oc9 UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Entamoeba
histolytica) 		PF01704
(UDPGP) 		5 LEU A 267
LEU A 156
MET A 169
ILE A 165
GLY A 164
 None
 1.27A 1g50B-3oc9A:
undetectable		 1g50B-3oc9A:
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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 MET A 615
GLU A 696
LEU A 622
MET A 647
ILE A 643
 None
 1.23A 1g50B-3p5pA:
undetectable		 1g50B-3p5pA:
15.30
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.
3qvu SULFOTRANSFERASE 1A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 LEU A  58
LEU A 189
GLY A 212
HIS A 213
LEU A 208
 None
 1.25A 1g50B-3qvuA:
undetectable		 1g50B-3qvuA:
20.32
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.
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
 1.14A 1g50B-3rkoK:
undetectable		 1g50B-3rkoK:
21.05
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 LEU A  20
GLU A 267
LEU A 263
GLY A 100
LEU A  99
 None
UD1  A 366 (-2.6A)
UD1  A 366 (-3.8A)
None
None
 1.04A 1g50B-3s2uA:
undetectable		 1g50B-3s2uA:
22.69
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 397
LEU A 421
ILE A  55
GLY A  52
LEU A  63
 None
SO4  A 524 (-4.9A)
None
None
None
 1.01A 1g50B-3v5rA:
undetectable		 1g50B-3v5rA:
19.20
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.
3wau 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Bacteroides
fragilis) 		PF04041
(Glyco_hydro_130) 		5 GLU A 314
LEU A 323
ARG A  35
ILE A 250
GLY A 274
 None
 1.23A 1g50B-3wauA:
undetectable		 1g50B-3wauA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4akx EXOU

(Pseudomonas
aeruginosa) 		PF01734
(Patatin) 		5 LEU B 328
GLU B 291
ILE B 202
GLY B 203
LEU B 208
 None
 1.15A 1g50B-4akxB:
undetectable		 1g50B-4akxB:
17.02
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.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 LEU A 504
GLU A 199
LEU A 525
ILE A 466
GLY A 531
 None
 1.25A 1g50B-4am3A:
undetectable		 1g50B-4am3A:
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 LEU A 307
LEU A 144
ARG A 175
ILE A 667
GLY A 677
 None
COA  A1730 ( 4.8A)
COA  A1730 (-3.9A)
None
None
 1.21A 1g50B-4b3iA:
undetectable		 1g50B-4b3iA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bf5 ALANINE RACEMASE

(Aeromonas
hydrophila) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 MET A 190
LEU A 191
ILE A 176
GLY A 141
LEU A 139
 None
 1.26A 1g50B-4bf5A:
undetectable		 1g50B-4bf5A:
20.24
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.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLU A 202
LEU A 199
ILE A 165
GLY A 172
LEU A 174
 EDO  A 410 (-3.2A)
EDO  A 410 (-4.1A)
None
CL  A 419 (-3.9A)
None
 1.26A 1g50B-4ej6A:
undetectable		 1g50B-4ej6A:
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		5 LEU A 206
LEU A 158
LEU A 156
ILE A  68
GLY A  67
 None
 1.14A 1g50B-4f0qA:
undetectable		 1g50B-4f0qA:
17.84
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.
4fvv NEUROTOXIN

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 LEU A1224
LEU A1164
MET A1110
ILE A1144
LEU A1193
 None
 1.05A 1g50B-4fvvA:
undetectable		 1g50B-4fvvA:
20.48
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.
4glt GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Methylobacillus
flagellatus) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 MET A 137
LEU A 134
MET A 162
GLY A  99
LEU A  96
 None
 1.25A 1g50B-4gltA:
undetectable		 1g50B-4gltA:
20.61
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.
4keg MALTOSE-BINDING
PERIPLASMIC/PALATE
LUNG AND NASAL
EPITHELIUM CLONE
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01273
(LBP_BPI_CETP)
PF13416
(SBP_bac_8) 		5 LEU A1135
LEU A1060
LEU A1059
ILE A1067
GLY A1066
 None
 1.21A 1g50B-4kegA:
undetectable		 1g50B-4kegA:
18.02
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.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS) 		5 LEU A 381
GLU A 291
LEU A 421
GLY A 427
LEU A 429
 None
 1.25A 1g50B-4mk0A:
undetectable		 1g50B-4mk0A:
16.38
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) 		6 LEU A 283
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 447
 None
 0.71A 1g50B-4n1yA:
30.4		 1g50B-4n1yA:
39.13
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) 		6 LEU A 283
LEU A 324
ARG A 331
MET A 358
ILE A 361
GLY A 447
 None
 0.75A 1g50B-4n1yA:
30.4		 1g50B-4n1yA:
39.13
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 LEU A 456
LEU A 455
ILE A 425
GLY A 462
LEU A 465
 None
 1.16A 1g50B-4nnbA:
undetectable		 1g50B-4nnbA:
16.23
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.
4nzj PUTATIVE
ALPHA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF05345
(He_PIG)
PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2) 		5 LEU A 239
LEU A 119
LEU A 120
GLY A 292
LEU A 265
 None
 1.25A 1g50B-4nzjA:
undetectable		 1g50B-4nzjA:
17.93
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.
4o1o RIBONUCLEASE L

(Sus scrofa) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		5 LEU A 108
LEU A 106
ILE A  96
HIS A  62
LEU A  61
 None
 1.24A 1g50B-4o1oA:
undetectable		 1g50B-4o1oA:
17.09
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.
4ovm UNCHARACTERIZED
PROTEIN SGCJ

(Streptomyces
carzinostaticus) 		PF14534
(DUF4440) 		5 LEU A 132
LEU A  43
ARG A  27
ILE A  64
GLY A  60
 None
 1.25A 1g50B-4ovmA:
undetectable		 1g50B-4ovmA:
17.00
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.
4pql TRUNCATED
REPLICATION PROTEIN
REPA

(Staphylococcus
aureus) 		PF06970
(RepA_N) 		5 LEU A  89
LEU A 108
LEU A 110
ILE A  42
LEU A  82
 None
 1.25A 1g50B-4pqlA:
undetectable		 1g50B-4pqlA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 347
MET A 234
ILE A   8
GLY A  41
HIS A  40
 None
 1.17A 1g50B-4qhrA:
undetectable		 1g50B-4qhrA:
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.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		5 LEU A  67
LEU A  99
ARG A  74
MET A 358
ILE A 354
 None
 1.15A 1g50B-4qlaA:
undetectable		 1g50B-4qlaA:
21.37
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 GLU A 453
LEU A 341
ARG A 357
ILE A 478
GLY A 465
 None
 1.24A 1g50B-4r1dA:
undetectable		 1g50B-4r1dA:
18.37
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.
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)
 1.05A 1g50B-4uhiA:
2.8		 1g50B-4uhiA:
18.57
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 305
LEU A 296
LEU A 286
ARG A 272
LEU A 159
 None
None
None
None
VFV  A 580 (-4.5A)
 1.24A 1g50B-4uhiA:
2.8		 1g50B-4uhiA:
18.57
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.
4xbz EVDO1

(Micromonospora
carbonacea) 		PF05721
(PhyH) 		5 LEU A 106
LEU A 216
ILE A  18
GLY A  41
LEU A  43
 None
 1.14A 1g50B-4xbzA:
undetectable		 1g50B-4xbzA:
21.37
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.
4y0a SHIKIMATE KINASE

(Acinetobacter
baumannii) 		PF01202
(SKI) 		5 LEU A  23
LEU A  90
ILE A 113
GLY A 112
LEU A 108
 None
 0.97A 1g50B-4y0aA:
undetectable		 1g50B-4y0aA:
22.53
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.
4zfh ARTIFICIAL ANKYRIN
REPEAT
PROTEIN_ANK(GAG)1D4
MUTANT -Y56A

(Homo sapiens) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 LEU A  53
LEU A  51
ILE A  95
GLY A  58
LEU A  90
 None
 1.26A 1g50B-4zfhA:
undetectable		 1g50B-4zfhA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF)
PF01590
(GAF) 		5 MET A  20
LEU A  17
GLU A  10
ARG A  72
GLY A 123
 None
 1.15A 1g50B-4zmuA:
undetectable		 1g50B-4zmuA:
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.
5ddb MENIN

(Homo sapiens) 		PF05053
(Menin) 		5 LEU A 299
GLU A 288
ARG A 330
ILE A 306
GLY A 305
 None
 1.26A 1g50B-5ddbA:
undetectable		 1g50B-5ddbA:
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 5 LEU B 378
LEU B 328
LEU B 327
ILE B 334
GLY B 333
 None
 1.22A 1g50B-5dlqB:
undetectable		 1g50B-5dlqB:
12.43
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 LEU A 645
LEU A 611
LEU A 610
ILE A 617
GLY A 616
 None
 1.17A 1g50B-5e7pA:
undetectable		 1g50B-5e7pA:
17.89
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.
5iuy MULTIDRUG EFFLUX
OUTER MEMBRANE
PROTEIN OPRN

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		5 LEU A 145
GLU A 152
LEU A 229
GLY A  53
LEU A  51
 None
 1.03A 1g50B-5iuyA:
undetectable		 1g50B-5iuyA:
19.65
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.
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
 1.17A 1g50B-5jd3A:
undetectable		 1g50B-5jd3A:
21.79
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 LEU A  94
LEU A  58
ILE A 355
GLY A 328
LEU A 352
 None
 1.18A 1g50B-5livA:
undetectable		 1g50B-5livA:
20.77
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.
5lx0 DIPEPTIDASE

(Aspergillus
fumigatus) 		PF01244
(Peptidase_M19) 		5 LEU A 159
MET A 197
LEU A 192
ILE A 133
GLY A 132
 None
 1.24A 1g50B-5lx0A:
undetectable		 1g50B-5lx0A:
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.
5mzh DYNEIN ASSEMBLY
FACTOR WITH WDR
REPEAT DOMAINS 1

(Chlamydomonas
reinhardtii) 		PF00400
(WD40) 		5 LEU A  68
LEU A  34
ARG A  11
ILE A  57
LEU A  47
 None
 1.16A 1g50B-5mzhA:
undetectable		 1g50B-5mzhA:
19.69
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.
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
 0.89A 1g50B-5n56A:
undetectable		 1g50B-5n56A:
17.89
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.
5ogx CYTOCHROME P450
REDUCTASE

(Amycolatopsis
methanolica) 		no annotation 5 LEU A 119
LEU A 180
ILE A 111
HIS A 162
LEU A 161
 None
 1.21A 1g50B-5ogxA:
undetectable		 1g50B-5ogxA:
20.75
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.
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT5

(Homo sapiens) 		PF00467
(KOW)
PF03439
(Spt5-NGN) 		5 MET Z 307
LEU Z 372
ILE Z 285
GLY Z 284
LEU Z 281
 None
 1.15A 1g50B-5oikZ:
undetectable		 1g50B-5oikZ:
12.05
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.
5ol0 PUTATIVE SILENT
INFORMATION
REGULATOR 2,PUTATIVE
SILENT INFORMATION
REGULATOR 2

(Leishmania
infantum) 		no annotation 5 LEU A 342
LEU A 111
LEU A 112
MET A 240
ILE A 215
 None
 1.05A 1g50B-5ol0A:
undetectable		 1g50B-5ol0A:
20.10
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) 		11 MET A 295
LEU A 298
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 (-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)
 0.53A 1g50B-5toaA:
30.5		 1g50B-5toaA:
59.27
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)
 1.43A 1g50B-5toaA:
30.5		 1g50B-5toaA:
59.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 MET A  29
LEU A  32
LEU A  77
ARG A  80
MET A 108
 1TA  A 301 ( 2.9A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
 1.01A 1g50B-5ufsA:
27.4		 1g50B-5ufsA:
30.22
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.
5vjt REACTION CENTER
MAQUETTE

(synthetic
construct) 		no annotation 5 LEU A 142
GLU A 153
LEU A  41
GLY A 164
LEU A 162
 None
 1.21A 1g50B-5vjtA:
undetectable		 1g50B-5vjtA:
14.17
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 MET A 212
LEU A 237
ILE A 184
GLY A 180
HIS A 183
 None
None
None
GOL  A 406 ( 3.6A)
None
 1.21A 1g50B-6c49A:
undetectable		 1g50B-6c49A:
15.00
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.
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
 1.07A 1g50B-6d04E:
undetectable		 1g50B-6d04E:
16.31