SIMILAR PATTERNS OF AMINO ACIDS FOR 2YJA_B_ESTB1550

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
 1.06A 2yjaB-1a6dB:
undetectable		 2yjaB-1a6dB:
19.61
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.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		5 ALA A  86
LEU A  84
MET A 452
GLY A 170
LEU A 167
 None
 1.02A 2yjaB-1b1yA:
0.1		 2yjaB-1b1yA:
16.99
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.
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
 0.96A 2yjaB-1gynA:
undetectable		 2yjaB-1gynA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))

(Desulfovibrio
vulgaris) 		PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10) 		5 MET L 219
LEU L 210
ILE L 103
HIS L 141
LEU L 285
 None
 1.22A 2yjaB-1hfeL:
undetectable		 2yjaB-1hfeL:
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.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 ALA A  46
LEU A  60
ILE A 100
GLY A  66
LEU A  67
 None
 0.98A 2yjaB-1i0aA:
undetectable		 2yjaB-1i0aA:
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ALA A 336
LEU A 331
MET A  39
ILE A 314
GLY A 312
 None
None
None
None
ZN  A 479 ( 4.5A)
 1.04A 2yjaB-1k7hA:
0.0		 2yjaB-1k7hA:
23.28
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.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 ALA A  85
LEU A  82
ARG A  79
GLY A  17
LEU A 306
 None
None
None
None
NDP  A1400 (-4.2A)
 1.11A 2yjaB-1lqaA:
undetectable		 2yjaB-1lqaA:
23.81
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.
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
 1.04A 2yjaB-1nklA:
undetectable		 2yjaB-1nklA:
16.13
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
ALA A 350
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 ( 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 ( 4.3A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.24A 2yjaB-1pcgA:
37.8		 2yjaB-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.
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
 1.08A 2yjaB-1q3sA:
2.3		 2yjaB-1q3sA:
18.46
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.
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
 1.15A 2yjaB-1s5pA:
undetectable		 2yjaB-1s5pA:
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
GLU A 230
LEU A 226
LEU A 224
LEU A  63
 None
 1.11A 2yjaB-1sgvA:
undetectable		 2yjaB-1sgvA:
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.
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
 1.07A 2yjaB-1sgvA:
undetectable		 2yjaB-1sgvA:
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.
1ugo BCL2-ASSOCIATED
ATHANOGENE 5

(Mus musculus) 		PF02179
(BAG) 		5 ALA A  79
GLU A  83
LEU A  57
LEU A  53
LEU A  20
 None
 1.10A 2yjaB-1ugoA:
undetectable		 2yjaB-1ugoA:
16.47
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.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 ALA A  84
LEU A 200
LEU A 199
GLY A 222
LEU A 217
 None
 1.09A 2yjaB-1vhkA:
undetectable		 2yjaB-1vhkA:
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.
1wc8 TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT3

(Mus musculus) 		PF04051
(TRAPP) 		5 ALA A  82
LEU A  60
MET A 144
GLY A 137
LEU A 135
 MYR  A1168 (-3.6A)
None
None
None
None
 0.88A 2yjaB-1wc8A:
undetectable		 2yjaB-1wc8A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 2yjaB-1xiuA:
23.1		 2yjaB-1xiuA:
29.37
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 345
LEU A 436
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 ( 4.5A)
9CR  A 801 (-4.7A)
 1.03A 2yjaB-1xlsA:
25.9		 2yjaB-1xlsA:
31.64
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
 1.05A 2yjaB-1xlsA:
25.9		 2yjaB-1xlsA:
31.64
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.
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
 1.07A 2yjaB-1ybfA:
undetectable		 2yjaB-1ybfA:
21.85
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.
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
 1.20A 2yjaB-1yveI:
undetectable		 2yjaB-1yveI:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		5 ALA A  66
GLU A  69
LEU A  40
ILE A  86
GLY A  85
 None
 1.15A 2yjaB-2c1hA:
undetectable		 2yjaB-2c1hA:
22.16
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.
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
 1.06A 2yjaB-2e4uA:
undetectable		 2yjaB-2e4uA:
19.08
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 ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 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)
 0.54A 2yjaB-2gpvA:
26.8		 2yjaB-2gpvA:
36.15
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.
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
 0.98A 2yjaB-2j5gD:
undetectable		 2yjaB-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.
2n00 INTERFERON-INDUCIBLE
PROTEIN AIM2

(Mus musculus) 		PF02758
(PYRIN) 		5 ALA A  65
LEU A  72
ILE A  17
GLY A  13
LEU A  10
 None
 1.19A 2yjaB-2n00A:
undetectable		 2yjaB-2n00A:
19.33
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
ALA A 350
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 ( 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 (-4.5A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.48A 2yjaB-2ocfA:
36.6		 2yjaB-2ocfA:
98.82
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) 		5 MET A 343
LEU A 402
ILE A 424
GLY A 521
HIS A 524
 EST  A 596 (-4.8A)
None
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
 1.15A 2yjaB-2ocfA:
36.6		 2yjaB-2ocfA:
98.82
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.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A  58
GLU A  59
MET A  83
LEU A  87
GLY A  74
 None
 1.21A 2yjaB-2panA:
undetectable		 2yjaB-2panA:
18.60
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.
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
 0.95A 2yjaB-2pjqA:
undetectable		 2yjaB-2pjqA:
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.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 LEU A 139
LEU A 140
ILE A  65
GLY A 120
LEU A 121
 None
 1.13A 2yjaB-2pmiA:
undetectable		 2yjaB-2pmiA:
23.55
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.
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
 1.02A 2yjaB-2rjoA:
undetectable		 2yjaB-2rjoA:
22.57
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.
2wnt RIBOSOMAL PROTEIN S6
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 512
LEU A 603
GLY A 610
HIS A 688
LEU A 686
 None
 1.11A 2yjaB-2wntA:
undetectable		 2yjaB-2wntA:
24.13
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.
2www METHYLMALONIC
ACIDURIA TYPE A
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF03308
(ArgK) 		5 LEU A 127
LEU A 128
ILE A  94
GLY A 233
LEU A 230
 None
 1.19A 2yjaB-2wwwA:
undetectable		 2yjaB-2wwwA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.91A 2yjaB-2x7xA:
undetectable		 2yjaB-2x7xA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		5 LEU A 340
LEU A 337
MET A 328
GLY A 259
HIS A 260
 None
 1.09A 2yjaB-2xfsA:
undetectable		 2yjaB-2xfsA:
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.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		5 ALA A 288
GLU A 291
LEU A 265
GLY A 270
LEU A 273
 None
 1.20A 2yjaB-2yy5A:
undetectable		 2yjaB-2yy5A:
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.
2zkj [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 4

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 GLU A 373
ARG A  64
ILE A 179
GLY A  44
LEU A  41
 None
 1.07A 2yjaB-2zkjA:
undetectable		 2yjaB-2zkjA:
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 ALA A  82
GLU A  86
ARG A 206
GLY A  51
HIS A  50
 None
 1.21A 2yjaB-3b89A:
undetectable		 2yjaB-3b89A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.13A 2yjaB-3e02A:
undetectable		 2yjaB-3e02A:
23.30
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.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA X 319
GLU X 318
LEU X 314
ARG X  11
GLY X 220
 None
 1.08A 2yjaB-3e3bX:
undetectable		 2yjaB-3e3bX:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		5 ALA A 462
LEU A 473
LEU A 442
GLY A 493
HIS A 455
 None
 1.01A 2yjaB-3epmA:
undetectable		 2yjaB-3epmA:
15.80
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 483
LEU A 341
LEU A 342
MET A 288
ILE A 291
 None
 1.14A 2yjaB-3g4gA:
undetectable		 2yjaB-3g4gA:
23.24
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.
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
 1.14A 2yjaB-3ioyA:
undetectable		 2yjaB-3ioyA:
20.87
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 ALA A 271
ILE A   8
GLY A 196
HIS A 220
LEU A 219
 None
 1.16A 2yjaB-3ipwA:
undetectable		 2yjaB-3ipwA:
22.12
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.
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
 1.06A 2yjaB-3jtlH:
undetectable		 2yjaB-3jtlH:
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.
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
 1.08A 2yjaB-3kumA:
undetectable		 2yjaB-3kumA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 2yjaB-3lkdA:
undetectable		 2yjaB-3lkdA:
19.19
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 ALA A 351
LEU A 202
LEU A 205
ILE A 297
GLY A 294
 NA  A 751 (-4.9A)
None
None
None
None
 1.13A 2yjaB-3mpnA:
undetectable		 2yjaB-3mpnA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 ALA A 251
GLU A 250
LEU A 186
ILE A 238
LEU A 271
 None
 1.20A 2yjaB-3nzpA:
undetectable		 2yjaB-3nzpA:
18.17
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 391
LEU A 249
LEU A 250
MET A 196
ILE A 199
 None
 1.13A 2yjaB-3o57A:
2.8		 2yjaB-3o57A:
21.47
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 224
LEU A 197
LEU A 204
ILE A  20
GLY A 146
 None
 1.20A 2yjaB-3pv4A:
undetectable		 2yjaB-3pv4A:
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 218
LEU A 161
ILE A 263
GLY A 260
LEU A 259
 None
 1.06A 2yjaB-3qtpA:
undetectable		 2yjaB-3qtpA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 317
LEU A 175
LEU A 176
MET A 122
ILE A 125
 ALA  A 317 ( 0.0A)
LEU  A 175 ( 0.6A)
LEU  A 176 ( 0.6A)
MET  A 122 ( 0.0A)
ILE  A 125 ( 0.6A)
 1.14A 2yjaB-3sl5A:
undetectable		 2yjaB-3sl5A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		5 ALA A 160
LEU A 147
LEU A 143
ARG A 182
ILE A  81
 None
 1.21A 2yjaB-3visA:
undetectable		 2yjaB-3visA:
23.93
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.
3wdo MFS TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ALA A 119
MET A 137
ILE A 140
GLY A  18
LEU A  17
 None
 1.15A 2yjaB-3wdoA:
undetectable		 2yjaB-3wdoA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 ALA A 281
GLU A 308
MET A 125
ILE A 124
GLY A 120
 GOL  A1468 ( 3.9A)
GOL  A1468 (-2.9A)
None
None
GLC  A 468 (-3.6A)
 1.04A 2yjaB-4b8sA:
undetectable		 2yjaB-4b8sA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ALA B 229
LEU B 246
ILE B 325
GLY A 349
LEU B 294
 None
 1.19A 2yjaB-4cakB:
undetectable		 2yjaB-4cakB:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 262
LEU A 263
ILE A 116
GLY A 113
LEU A 283
 None
 1.20A 2yjaB-4egvA:
undetectable		 2yjaB-4egvA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 2yjaB-4ej6A:
undetectable		 2yjaB-4ej6A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ALA A  56
LEU A 324
LEU A 327
ILE A 189
GLY A 214
 None
 1.10A 2yjaB-4gp1A:
undetectable		 2yjaB-4gp1A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4izk YELLOWTAIL ASCITES
VIRUS (YAV) VP4
PROTEASE

(Yellowtail
ascites virus) 		PF01768
(Birna_VP4) 		5 ALA A 607
LEU A 561
LEU A 610
GLY A 637
LEU A 638
 None
 1.17A 2yjaB-4izkA:
undetectable		 2yjaB-4izkA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A3257
MET A3258
ILE A3292
GLY A3293
HIS A3404
 None
 1.18A 2yjaB-4kc5A:
undetectable		 2yjaB-4kc5A:
14.60
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.
4km3 METHIONINE
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF00557
(Peptidase_M24) 		5 ALA A 185
GLU A 186
ARG A 194
ILE A 231
GLY A 164
 None
 1.19A 2yjaB-4km3A:
undetectable		 2yjaB-4km3A:
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.
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
 0.90A 2yjaB-4kprE:
undetectable		 2yjaB-4kprE:
19.58
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 ALA A  54
GLU A  55
LEU A  65
ILE A 302
GLY A  90
 None
 1.19A 2yjaB-4kzkA:
undetectable		 2yjaB-4kzkA:
18.79
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.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA E 318
GLU E 317
LEU E 313
ARG E  10
GLY E 219
 None
 1.08A 2yjaB-4md8E:
undetectable		 2yjaB-4md8E:
19.20
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 ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 444
 None
 1.38A 2yjaB-4n1yA:
30.7		 2yjaB-4n1yA:
38.98
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 ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
GLY A 447
 None
 0.57A 2yjaB-4n1yA:
30.7		 2yjaB-4n1yA:
38.98
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 ALA A 287
GLU A 290
LEU A 324
ARG A 331
MET A 358
ILE A 361
 None
 0.70A 2yjaB-4n1yA:
30.7		 2yjaB-4n1yA:
38.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 2yjaB-4o1oA:
undetectable		 2yjaB-4o1oA:
16.97
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.
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
 1.20A 2yjaB-4ovmA:
undetectable		 2yjaB-4ovmA:
18.92
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.
4rgz XAA-PRO
AMINOPEPTIDASE

(Thermococcus
sibiricus) 		no annotation 5 MET A   6
GLU A  72
ILE A 308
GLY A 236
LEU A 235
 None
 1.15A 2yjaB-4rgzA:
undetectable		 2yjaB-4rgzA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk0 LACI FAMILY
SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		5 LEU A 305
LEU A 306
ILE A  91
GLY A 299
LEU A 298
 None
 1.21A 2yjaB-4rk0A:
undetectable		 2yjaB-4rk0A:
22.61
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.
4rzm EPOXIDE HYDROLASE
LASB

(Streptomyces
lasaliensis) 		PF12680
(SnoaL_2) 		5 LEU A 233
MET A 219
ILE A 247
GLY A 225
LEU A 227
 None
LSD  A 301 ( 4.1A)
None
None
LSD  A 301 ( 4.6A)
 1.19A 2yjaB-4rzmA:
undetectable		 2yjaB-4rzmA:
23.17
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 563
LEU A 421
LEU A 422
MET A 368
ILE A 371
 None
 1.12A 2yjaB-4wziA:
undetectable		 2yjaB-4wziA:
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.
4xae FERULOYL COA
ORTHO-HYDROXYLASE 1

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 GLU A 323
LEU A 321
ILE A 332
GLY A 286
LEU A 287
 None
 1.17A 2yjaB-4xaeA:
undetectable		 2yjaB-4xaeA:
22.05
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A 141
LEU A  97
ILE A 125
GLY A 122
LEU A 120
 None
None
None
GMT  A 401 ( 4.0A)
None
 1.22A 2yjaB-5d01A:
undetectable		 2yjaB-5d01A:
21.71
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.
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
 1.16A 2yjaB-5gz1A:
undetectable		 2yjaB-5gz1A:
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.
5j62 PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ALA A  40
LEU A 114
ILE A 131
GLY A 190
LEU A  96
 None
None
FMN  A 301 (-3.7A)
None
None
 1.15A 2yjaB-5j62A:
undetectable		 2yjaB-5j62A:
19.78
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 ALA A1016
GLU A1053
MET A1441
ILE A1486
GLY A 973
 None
None
None
GLC  A1708 ( 4.2A)
GLC  A1708 ( 3.5A)
 1.05A 2yjaB-5jbeA:
undetectable		 2yjaB-5jbeA:
13.90
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.
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
 1.04A 2yjaB-5jd3A:
undetectable		 2yjaB-5jd3A:
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.
5k9x TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Legionella
pneumophila) 		PF00290
(Trp_syntA) 		5 ALA A  25
MET A  68
LEU A  72
GLY A 101
LEU A  99
 None
 1.17A 2yjaB-5k9xA:
undetectable		 2yjaB-5k9xA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		5 ALA A 564
LEU A 591
LEU A 594
ILE A 576
GLY A 516
 None
 1.20A 2yjaB-5kcaA:
undetectable		 2yjaB-5kcaA:
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.
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
 1.14A 2yjaB-5l2eA:
undetectable		 2yjaB-5l2eA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5law E3 UBIQUITIN-PROTEIN
LIGASE MDM2

(Homo sapiens) 		PF02201
(SWIB) 		5 LEU A  38
LEU A  37
ILE A  61
GLY A  58
LEU A  54
 None
None
6SJ  A 201 (-3.6A)
6SJ  A 201 ( 3.8A)
6SJ  A 201 (-4.2A)
 1.15A 2yjaB-5lawA:
undetectable		 2yjaB-5lawA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  96
LEU A  53
ILE A 395
GLY A 267
LEU A 146
 None
 1.07A 2yjaB-5lnqA:
undetectable		 2yjaB-5lnqA:
20.36
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.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT ALPHA

(Nostoc sp. PCC
7120) 		no annotation 5 ALA A 229
GLU A 228
ARG A 267
ILE A 221
GLY A 196
 None
 1.18A 2yjaB-5n3uA:
undetectable		 2yjaB-5n3uA:
14.90
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 ALA A 271
GLU A 298
MET A 120
ILE A 119
GLY A 115
 None
8BR  A 501 ( 4.6A)
None
None
GLC  A 503 (-3.7A)
 1.13A 2yjaB-5o0jA:
undetectable		 2yjaB-5o0jA:
16.06
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ALA A  22
LEU A  19
ILE A 267
GLY A 223
LEU A 219
 None
 1.12A 2yjaB-5od2A:
undetectable		 2yjaB-5od2A:
14.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 ALA A 563
LEU A 421
LEU A 422
MET A 368
ILE A 371
 None
 1.12A 2yjaB-5ohjA:
3.0		 2yjaB-5ohjA:
16.86
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 MET A 294
GLU A 305
MET A 340
LEU A 343
ARG A 346
 None
EST  A 601 (-2.4A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 1.11A 2yjaB-5toaA:
31.3		 2yjaB-5toaA:
59.51
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
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 ( 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)
 0.41A 2yjaB-5toaA:
31.3		 2yjaB-5toaA:
59.51
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) 		6 MET A 295
LEU A 354
ILE A 376
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 1.25A 2yjaB-5toaA:
31.3		 2yjaB-5toaA:
59.51
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.
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
 0.99A 2yjaB-5u4nA:
undetectable		 2yjaB-5u4nA:
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.
5vy3 PROTEASOME SUBUNIT
ALPHA

(Thermoplasma
acidophilum) 		no annotation 5 MET A 120
ALA A  92
LEU A 112
ILE A 157
LEU A 136
 None
 1.21A 2yjaB-5vy3A:
undetectable		 2yjaB-5vy3A:
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.
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
 1.06A 2yjaB-5xdrA:
undetectable		 2yjaB-5xdrA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 6 MET A 212
ALA A 198
LEU A 237
ILE A 184
GLY A 180
HIS A 183
 None
None
None
None
GOL  A 406 ( 3.6A)
None
 1.39A 2yjaB-6c49A:
undetectable		 2yjaB-6c49A:
15.70
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.
6c7v -

(-) 		no annotation 5 LEU A  65
MET A  62
LEU A  63
ILE A  83
GLY A  81
 None
 1.21A 2yjaB-6c7vA:
undetectable		 2yjaB-6c7vA:
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.
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
 1.02A 2yjaB-6d04E:
undetectable		 2yjaB-6d04E:
16.25