SIMILAR PATTERNS OF AMINO ACIDS FOR 1ERE_B_ESTB600

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.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
LEU A 109
 None
 1.38A 1ereB-1cj2A:
undetectable		 1ereB-1cj2A:
20.25
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.
1dkp PHYTASE

(Escherichia
coli) 		PF00328
(His_Phos_2) 		5 ALA A 214
LEU A 249
LEU A 247
ILE A 237
LEU A 170
 None
 1.29A 1ereB-1dkpA:
undetectable		 1ereB-1dkpA:
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.
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
 1.23A 1ereB-1hfeL:
undetectable		 1ereB-1hfeL:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		5 MET A 171
ALA A 109
LEU A 107
LEU A 106
ILE A 192
 None
 1.31A 1ereB-1jv1A:
0.0		 1ereB-1jv1A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 ALA A  85
LEU A  82
ARG A  79
ILE A  44
LEU A 306
 None
None
None
None
NDP  A1400 (-4.2A)
 1.02A 1ereB-1lqaA:
undetectable		 1ereB-1lqaA:
23.74
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.
1nig HYPOTHETICAL PROTEIN
TA1238

(Thermoplasma
acidophilum) 		PF09155
(DUF1940) 		5 ALA A  32
LEU A  36
LEU A 102
ILE A 142
LEU A  51
 None
 1.40A 1ereB-1nigA:
undetectable		 1ereB-1nigA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 1ereB-1nklA:
0.6		 1ereB-1nklA:
15.98
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) 		9 MET A 343
ALA A 350
GLU A 353
LEU A 387
LEU A 391
ARG A 394
ILE A 424
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)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.24A 1ereB-1pcgA:
37.9		 1ereB-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.
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
 1.17A 1ereB-1sgvA:
undetectable		 1ereB-1sgvA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 1ereB-1sgvA:
undetectable		 1ereB-1sgvA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 1ereB-1ugoA:
undetectable		 1ereB-1ugoA:
15.42
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 1ereB-1xlsA:
25.6		 1ereB-1xlsA:
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		5 ALA A  86
LEU A 164
LEU A 222
ILE A 168
LEU A 152
 None
 1.20A 1ereB-2cy7A:
undetectable		 1ereB-2cy7A:
20.79
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.
2dt8 DEGV FAMILY PROTEIN

(Thermus
thermophilus) 		PF02645
(DegV) 		5 ALA A 174
LEU A 188
LEU A 190
ILE A 264
HIS A 267
 None
None
None
PLM  A 701 ( 4.5A)
PLM  A 701 (-3.7A)
 1.42A 1ereB-2dt8A:
undetectable		 1ereB-2dt8A:
21.23
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)
 0.64A 1ereB-2gpvA:
26.5		 1ereB-2gpvA:
36.33
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.
2ije GUANINE
NUCLEOTIDE-RELEASING
PROTEIN

(Mus musculus) 		PF00617
(RasGEF) 		5 ALA S1117
GLU S1120
LEU S1035
LEU S1038
ILE S1227
 None
 1.48A 1ereB-2ijeS:
undetectable		 1ereB-2ijeS:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it2 UPF0130 PROTEIN
PH1069

(Pyrococcus
horikoshii) 		PF02676
(TYW3) 		5 ALA A 125
LEU A 121
ILE A 144
HIS A 109
LEU A 108
 None
 1.31A 1ereB-2it2A:
undetectable		 1ereB-2it2A:
20.50
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.
2j4r EXOPOLYPHOSPHATASE

(Aquifex
aeolicus) 		PF02541
(Ppx-GppA) 		5 ALA A  96
GLU A  97
LEU A 100
ILE A  64
LEU A  45
 None
 1.41A 1ereB-2j4rA:
undetectable		 1ereB-2j4rA:
20.82
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.
2mvg DECORIN-BINDING
PROTEIN B

(Borreliella
burgdorferi) 		PF02352
(Decorin_bind) 		5 ALA A  99
GLU A  98
LEU A 102
ILE A 146
LEU A 153
 None
 1.46A 1ereB-2mvgA:
undetectable		 1ereB-2mvgA:
22.03
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.
2o7p RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 GLU A 167
LEU A 204
ARG A 207
ILE A 228
LEU A 191
 None
 1.46A 1ereB-2o7pA:
undetectable		 1ereB-2o7pA:
20.26
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) 		9 MET A 343
ALA A 350
GLU A 353
LEU A 387
LEU A 391
ARG A 394
ILE A 424
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)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.43A 1ereB-2ocfA:
36.2		 1ereB-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.
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
 0.93A 1ereB-2pjqA:
undetectable		 1ereB-2pjqA:
21.38
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.
2qgo PUTATIVE FE-S
BIOSYNTHESIS PROTEIN

(Lactobacillus
acidophilus) 		PF01521
(Fe-S_biosyn) 		5 ALA A  12
LEU A  97
LEU A  99
ILE A  74
LEU A  22
 None
 1.41A 1ereB-2qgoA:
undetectable		 1ereB-2qgoA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rg2 CHOLOYLGLYCINE
HYDROLASE

(Clostridium
perfringens) 		PF02275
(CBAH) 		5 MET A  57
ALA A  79
LEU A  81
LEU A 142
ILE A  22
 None
None
CSO  A   2 ( 4.0A)
EDO  A 333 ( 4.5A)
None
 1.30A 1ereB-2rg2A:
undetectable		 1ereB-2rg2A:
22.99
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.
2vk2 ABC TRANSPORTER
PERIPLASMIC-BINDING
PROTEIN YTFQ

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 ALA A 252
GLU A  20
LEU A  89
ARG A  17
ILE A  62
 None
None
None
GZL  A1298 (-3.9A)
None
 1.48A 1ereB-2vk2A:
undetectable		 1ereB-2vk2A:
21.25
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.
2xym 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
 1.31A 1ereB-2xymA:
undetectable		 1ereB-2xymA:
18.84
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.
2zwi ALPHA-/BETA-GALACTOS
IDE
ALPHA-2,3-SIALYLTRAN
SFERASE

(Photobacterium
phosphoreum) 		PF11477
(PM0188) 		5 ALA A 151
GLU A 152
LEU A 209
ILE A 396
LEU A 387
 GOL  A   5 (-3.1A)
GOL  A   5 ( 4.8A)
GOL  A   7 (-4.5A)
None
None
 1.50A 1ereB-2zwiA:
undetectable		 1ereB-2zwiA:
20.26
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.
3bhw UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		PF08849
(DUF1819) 		5 GLU A 158
LEU A  15
LEU A  17
ILE A  23
LEU A  60
 None
 1.45A 1ereB-3bhwA:
undetectable		 1ereB-3bhwA:
23.22
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 LEU A 558
LEU A 562
ILE A 565
HIS A 538
LEU A 540
 None
 1.48A 1ereB-3cttA:
undetectable		 1ereB-3cttA:
14.53
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.
3d6b GLUTARYL-COA
DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 MET A 299
ALA A 338
LEU A 367
LEU A 364
ILE A 271
 None
 1.40A 1ereB-3d6bA:
undetectable		 1ereB-3d6bA:
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.
3dbi SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 ALA A 172
GLU A 175
LEU A 327
ILE A 295
HIS A 165
 None
 1.31A 1ereB-3dbiA:
undetectable		 1ereB-3dbiA:
21.22
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.
3dka DINB-LIKE PROTEIN

(Bacillus
subtilis) 		PF05163
(DinB) 		5 LEU A 120
LEU A 121
ILE A  92
HIS A  53
LEU A  54
 None
 1.32A 1ereB-3dkaA:
undetectable		 1ereB-3dkaA:
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.
3e8j COPROPORPHYRINOGEN
III OXIDASE

(Leishmania
naiffi) 		PF01218
(Coprogen_oxidas) 		5 ALA A 180
GLU A 179
LEU A 290
ARG A 237
HIS A 146
 None
 1.36A 1ereB-3e8jA:
undetectable		 1ereB-3e8jA:
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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A 217
GLU A 216
LEU A 280
LEU A 283
LEU A 180
 None
 1.28A 1ereB-3egoA:
undetectable		 1ereB-3egoA:
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.
3kez PUTATIVE SUGAR
BINDING PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 MET A 239
ALA A 368
GLU A 367
ARG A 425
ILE A 195
 None
 1.33A 1ereB-3kezA:
undetectable		 1ereB-3kezA:
22.68
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 ALA A 244
LEU A 163
LEU A 160
ILE A 118
LEU A 209
 None
 1.49A 1ereB-3l0zA:
undetectable		 1ereB-3l0zA:
19.03
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 ALA A 105
LEU A 153
LEU A 143
ILE A  83
LEU A 190
 None
 1.35A 1ereB-3l2zA:
undetectable		 1ereB-3l2zA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 ALA A 218
LEU A 260
ILE A  16
HIS A  48
LEU A  19
 NAD  A 327 (-4.9A)
None
None
None
None
 1.48A 1ereB-3ln3A:
undetectable		 1ereB-3ln3A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2b DIAMINOPIMELATE
DECARBOXYLASE

(Vibrio cholerae) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 257
LEU A 241
ILE A  56
HIS A  54
LEU A 272
 None
 1.28A 1ereB-3n2bA:
undetectable		 1ereB-3n2bA:
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.
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
 1.18A 1ereB-3nzpA:
undetectable		 1ereB-3nzpA:
18.21
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.
3q0g ENOYL-COA HYDRATASE
ECHA8

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ALA A 170
GLU A 169
LEU A 158
ARG A 163
LEU A 119
 None
 1.36A 1ereB-3q0gA:
undetectable		 1ereB-3q0gA:
19.79
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 ALA A 103
GLU A 128
LEU A 278
ILE A 244
HIS A 245
 None
 1.47A 1ereB-3t3oA:
undetectable		 1ereB-3t3oA:
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 ALA A   6
LEU A  16
LEU A  12
HIS A 160
LEU A 159
 None
 1.41A 1ereB-3v8vA:
undetectable		 1ereB-3v8vA:
16.46
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.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		5 ALA A 160
LEU A 147
LEU A 143
ARG A 182
ILE A  81
 None
 1.20A 1ereB-3visA:
undetectable		 1ereB-3visA:
24.61
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.
3w0k BIFUNCTIONAL
ENDOMANNANASE/ENDOGL
UCANASE

(Caldanaerobius
polysaccharolyticus) 		PF00150
(Cellulase) 		5 ALA A  86
LEU A  83
ILE A 173
HIS A 151
LEU A 154
 None
 1.50A 1ereB-3w0kA:
undetectable		 1ereB-3w0kA:
21.70
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.
4a73 L-LACTATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 133
LEU A 135
LEU A 136
ILE A  26
LEU A  88
 None
 1.45A 1ereB-4a73A:
undetectable		 1ereB-4a73A:
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.
4ars HISTIDINE ACID
PHOSPHATASE

(Hafnia alvei) 		PF00328
(His_Phos_2) 		5 ALA A 217
LEU A 252
LEU A 250
ILE A 240
LEU A 172
 None
 1.39A 1ereB-4arsA:
undetectable		 1ereB-4arsA:
19.90
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A  20
LEU A   9
ILE A  46
HIS A 225
LEU A 251
 None
 1.44A 1ereB-4c30A:
undetectable		 1ereB-4c30A:
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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		5 ALA A 213
GLU A 212
ARG A  70
ILE A 334
LEU A  63
 None
 1.31A 1ereB-4d9iA:
undetectable		 1ereB-4d9iA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 MET A 114
ALA A 106
LEU A  82
LEU A  81
ILE A  27
 None
 1.25A 1ereB-4dqdA:
undetectable		 1ereB-4dqdA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		5 ALA A  33
GLU A  32
LEU A  28
ARG A  48
ILE A  97
 None
 1.39A 1ereB-4eeiA:
0.6		 1ereB-4eeiA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ely DNA GYRASE SUBUNIT A

(Shigella
flexneri) 		PF00521
(DNA_topoisoIV) 		5 ALA A 455
LEU A 459
LEU A 461
ILE A 390
LEU A 396
 None
 1.47A 1ereB-4elyA:
undetectable		 1ereB-4elyA:
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.
4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE

(Escherichia
coli) 		PF02401
(LYTB) 		5 MET A   1
ALA A 290
LEU A   5
LEU A 293
LEU A 282
 None
 1.38A 1ereB-4h4cA:
undetectable		 1ereB-4h4cA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A 123
GLU A 122
LEU A  96
ARG A 116
LEU A 110
 None
 1.33A 1ereB-4iv5A:
undetectable		 1ereB-4iv5A:
22.29
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
ILE A 361
 None
 0.54A 1ereB-4n1yA:
30.3		 1ereB-4n1yA:
38.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		5 ALA A  68
GLU A  69
ARG A  76
ILE A 124
LEU A  59
 None
 1.49A 1ereB-4n2xA:
undetectable		 1ereB-4n2xA:
21.02
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.
4nee AP-2 COMPLEX SUBUNIT
ALPHA-2

(Rattus
norvegicus) 		no annotation 5 MET G 353
ALA G 389
LEU G 377
HIS G 369
LEU G 338
 None
 1.12A 1ereB-4neeG:
undetectable		 1ereB-4neeG:
23.35
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.
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
 1.19A 1ereB-4o1oA:
undetectable		 1ereB-4o1oA:
17.28
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.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		5 ALA A 151
LEU A 250
LEU A 251
ILE A  20
LEU A 139
 None
 1.39A 1ereB-4po0A:
undetectable		 1ereB-4po0A:
18.10
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.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 MET A  90
GLU A 105
LEU A 171
HIS A  24
LEU A  21
 None
 1.32A 1ereB-4q5nA:
undetectable		 1ereB-4q5nA:
24.54
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.
4zu9 ELONGATION FACTOR
SELB

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF09107
(SelB-wing_3) 		5 ALA A   7
LEU A   5
LEU A  57
ILE A 171
HIS A 110
 None
 1.44A 1ereB-4zu9A:
undetectable		 1ereB-4zu9A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm9 RAL GUANINE
NUCLEOTIDE
DISSOCIATION
STIMULATOR-LIKE 2

(Mus musculus) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 ALA A 138
GLU A 142
ARG A 191
ILE A 208
LEU A 163
 None
 1.47A 1ereB-5cm9A:
undetectable		 1ereB-5cm9A:
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.
5cwl DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A 100
GLU A  97
LEU A 137
ILE A 168
LEU A 119
 None
 1.41A 1ereB-5cwlA:
undetectable		 1ereB-5cwlA:
21.65
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.
5cwq DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A 141
GLU A 140
LEU A  93
ILE A  98
LEU A 154
 None
None
None
GOL  A 301 (-4.1A)
None
 1.49A 1ereB-5cwqA:
undetectable		 1ereB-5cwqA:
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.
5gha SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3) 		5 ALA A 236
GLU A 235
LEU A 232
LEU A 231
LEU A 171
 None
 1.50A 1ereB-5ghaA:
undetectable		 1ereB-5ghaA:
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 ALA B 599
GLU B 598
LEU B 594
ARG B 706
ILE B 577
 None
 1.49A 1ereB-5my0B:
undetectable		 1ereB-5my0B:
19.53
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.
5nkm PROTEIN SMG-8
PROTEIN SMG-9

(Caenorhabditis
elegans) 		PF10220
(Smg8_Smg9)
no annotation 		5 ALA D 185
LEU D 181
ILE E 172
HIS D 352
LEU D 351
 EDO  D 402 (-4.0A)
None
None
None
None
 1.23A 1ereB-5nkmD:
undetectable		 1ereB-5nkmD:
21.84
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) 		9 MET A 295
ALA A 302
GLU A 305
LEU A 339
LEU A 343
ARG A 346
ILE A 376
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 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.43A 1ereB-5toaA:
31.2		 1ereB-5toaA:
57.36
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 295
LEU A 354
ILE A 376
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 1.41A 1ereB-5toaA:
31.2		 1ereB-5toaA:
57.36
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 ALA A 625
GLU A 626
LEU A 644
ILE A 637
LEU A 600
 None
 1.26A 1ereB-5ux5A:
undetectable		 1ereB-5ux5A:
13.46
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.
5vrd BIFUNCTIONAL
COENZYME PQQ
SYNTHESIS PROTEIN
C/D

(Methylobacterium
extorquens) 		no annotation 5 ALA D 153
LEU D 156
ARG D  91
HIS D  19
LEU D  22
 None
 1.29A 1ereB-5vrdD:
1.8		 1ereB-5vrdD:
14.64
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		5 ALA A 178
GLU A 181
LEU A 150
HIS A 232
LEU A 229
 None
 1.31A 1ereB-5vwsA:
undetectable		 1ereB-5vwsA:
20.81
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.
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 1ereB-5vy3A:
undetectable		 1ereB-5vy3A:
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.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLU A  27
LEU A  23
ARG A 244
ILE A  16
LEU A 231
 None
 1.50A 1ereB-5w3fA:
undetectable		 1ereB-5w3fA:
18.28
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.
6amn HEAT SHOCK PROTEIN
104

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A  38
GLU A  41
LEU A  21
ILE A  76
LEU A  30
 None
 1.43A 1ereB-6amnA:
undetectable		 1ereB-6amnA:
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
LEU A 109
 None
 1.37A 1ereB-6dllA:
undetectable		 1ereB-6dllA:
16.10
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 293
LEU A 316
LEU A 317
ARG A 322
LEU A 283
 None
 1.48A 1ereB-6fbtA:
undetectable		 1ereB-6fbtA:
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.
6fhs RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 5 ALA A 380
GLU A 383
LEU A 411
LEU A 408
ILE A 372
 None
 1.37A 1ereB-6fhsA:
undetectable		 1ereB-6fhsA:
15.11