SIMILAR PATTERNS OF AMINO ACIDS FOR 1ERR_A_RALA600_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		5 THR A 326
ALA A 330
LEU A 331
LEU A 362
ARG A 219
 SO4  A 490 (-3.3A)
None
None
None
None
 1.24A 1errA-1c7jA:
undetectable		 1errA-1c7jA:
19.14
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.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 GLU A  49
LEU A  48
LEU A 301
ARG A 335
ILE A 290
 None
 0.97A 1errA-1cj2A:
undetectable		 1errA-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.
1dkg MOLECULAR CHAPERONE
DNAK

(Escherichia
coli) 		PF00012
(HSP70) 		5 ALA D 269
GLU D 272
LEU D 273
ILE D 286
LEU D 240
 None
 1.21A 1errA-1dkgD:
undetectable		 1errA-1dkgD:
21.50
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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		6 THR A  97
ALA A  92
GLU A  93
LEU A  91
ARG A 301
ILE A 261
 None
 1.37A 1errA-1fhuA:
undetectable		 1errA-1fhuA:
23.84
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.
1fw1 GLUTATHIONE
TRANSFERASE ZETA

(Homo sapiens) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		5 THR A 160
ALA A 162
ASP A 163
LEU A 166
MET A 101
 None
 1.23A 1errA-1fw1A:
undetectable		 1errA-1fw1A:
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 THR A 179
ALA A 567
LEU A 565
TRP A 595
LEU A 574
 None
 1.06A 1errA-1g8kA:
undetectable		 1errA-1g8kA:
15.46
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.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		6 ALA A 327
ASP A 328
LEU A 326
LEU A 179
ILE A 316
LEU A 335
 None
 1.47A 1errA-1hlgA:
undetectable		 1errA-1hlgA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1j FIBRINOGEN GAMMA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 THR C 259
ALA C 260
ASP C 261
MET C 379
ILE C 367
 None
 0.99A 1errA-1m1jC:
undetectable		 1errA-1m1jC:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ASP A 351
GLU A 353
LEU A 354
TRP A 383
LEU A 391
ARG A 394
 None
EST  A   1 (-2.8A)
None
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
 0.94A 1errA-1pcgA:
32.5		 1errA-1pcgA:
98.77
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) 		7 ASP A 351
GLU A 353
TRP A 383
LEU A 391
ARG A 394
ILE A 424
LEU A 525
 None
EST  A   1 (-2.8A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 (-3.6A)
 0.82A 1errA-1pcgA:
32.5		 1errA-1pcgA:
98.77
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) 		8 THR A 347
ALA A 350
GLU A 353
LEU A 354
TRP A 383
MET A 388
LEU A 391
ARG A 394
 None
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
None
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
 0.53A 1errA-1pcgA:
32.5		 1errA-1pcgA:
98.77
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 THR A 347
ALA A 350
GLU A 353
TRP A 383
MET A 388
LEU A 391
ARG A 394
ILE A 424
LEU A 525
 None
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 (-3.6A)
 0.73A 1errA-1pcgA:
32.5		 1errA-1pcgA:
98.77
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 THR A 347
ALA A 350
GLU A 353
TRP A 383
MET A 388
LEU A 391
ARG A 394
MET A 421
LEU A 525
 None
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 (-3.6A)
 0.72A 1errA-1pcgA:
32.5		 1errA-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.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 5 ALA B 246
LEU B 245
LEU B 265
ILE B 289
LEU B 292
 None
 1.22A 1errA-1tahB:
undetectable		 1errA-1tahB:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 343
LEU A 347
TRP A 376
ARG A 387
ILE A 499
 MEI  A1001 (-3.3A)
None
None
MEI  A1001 (-3.6A)
None
 1.13A 1errA-1uhlA:
22.2		 1errA-1uhlA:
31.03
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.
1v76 RNASE P PROTEIN
PH1771P

(Pyrococcus
horikoshii) 		PF01868
(UPF0086) 		5 THR A 103
ALA A  99
ASP A 101
LEU A  48
ILE A  44
 None
 1.23A 1errA-1v76A:
undetectable		 1errA-1v76A:
17.70
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.
1vf1 GLUTATHIONE
S-TRANSFERASE 3

(Gallus gallus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ALA A 156
ASP A 157
LEU A 160
MET A  94
ARG A  69
 None
 1.17A 1errA-1vf1A:
undetectable		 1errA-1vf1A:
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
LEU A 250
TRP A 279
ARG A 290
ILE A 402
 9CR  A 201 (-3.6A)
None
None
9CR  A 201 (-2.8A)
None
 1.07A 1errA-1xiuA:
22.2		 1errA-1xiuA:
29.96
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 276
TRP A 305
ARG A 316
ILE A 428
 9CR  A 801 (-3.5A)
None
None
9CR  A 801 (-2.6A)
None
 1.17A 1errA-1xlsA:
22.1		 1errA-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.
2ddw PYRIDOXINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		5 ALA A 153
TRP A 191
LEU A 120
ARG A 114
ILE A  18
 None
 1.15A 1errA-2ddwA:
undetectable		 1errA-2ddwA:
24.92
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.
2dyk GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1) 		5 THR A  94
ALA A  96
ASP A  97
GLU A  99
TRP A  60
 None
 1.12A 1errA-2dykA:
undetectable		 1errA-2dykA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ALA A 272
ASP A 273
GLU A 275
LEU A 276
TRP A 305
ARG A 316
 OHT  A 500 (-3.5A)
OHT  A 500 (-3.1A)
OHT  A 500 (-2.6A)
OHT  A 500 (-4.9A)
None
OHT  A 500 (-3.8A)
 0.70A 1errA-2gpvA:
26.4		 1errA-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.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Thermotoga
maritima) 		PF01680
(SOR_SNZ) 		5 THR A 218
ALA A 220
ASP A 221
LEU A 224
LEU A 266
 None
 1.13A 1errA-2issA:
undetectable		 1errA-2issA:
19.27
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 ASP A 351
GLU A 353
ARG A 394
ILE A 424
LEU A 525
 None
EST  A 596 (-2.7A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 (-3.6A)
 1.09A 1errA-2ocfA:
31.6		 1errA-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) 		8 THR A 347
ALA A 350
GLU A 353
TRP A 383
MET A 388
ARG A 394
ILE A 424
LEU A 525
 None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
None
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 (-3.6A)
 0.86A 1errA-2ocfA:
31.6		 1errA-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) 		8 THR A 347
ALA A 350
GLU A 353
TRP A 383
MET A 388
ARG A 394
MET A 421
LEU A 525
 None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
None
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 (-3.6A)
 0.89A 1errA-2ocfA:
31.6		 1errA-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) 		8 THR A 347
ALA A 350
GLU A 353
TRP A 383
MET A 388
LEU A 391
ARG A 394
ILE A 424
 None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
 0.67A 1errA-2ocfA:
31.6		 1errA-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) 		8 THR A 347
ALA A 350
GLU A 353
TRP A 383
MET A 388
LEU A 391
ARG A 394
MET A 421
 None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
 0.68A 1errA-2ocfA:
31.6		 1errA-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) 		7 THR A 347
GLU A 353
LEU A 354
TRP A 383
MET A 388
LEU A 391
ARG A 394
 None
EST  A 596 (-2.7A)
None
None
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
 0.70A 1errA-2ocfA:
31.6		 1errA-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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		5 ALA A 348
ASP A 345
MET A 355
LEU A 354
ILE A 370
 None
 1.22A 1errA-2paaA:
undetectable		 1errA-2paaA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 351
ALA A 354
LEU A 358
LEU A 286
LEU A 328
 None
 1.20A 1errA-2q09A:
undetectable		 1errA-2q09A:
20.29
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.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 ALA A  36
TRP A  69
LEU A  77
ARG A  80
MET A 108
 1CA  A 247 (-3.6A)
None
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
 0.88A 1errA-2q3yA:
24.9		 1errA-2q3yA:
26.91
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.
2q83 YTAA PROTEIN

(Bacillus
subtilis) 		PF01636
(APH) 		5 LEU A 247
MET A 141
LEU A 144
ILE A 274
LEU A 131
 None
 1.14A 1errA-2q83A:
undetectable		 1errA-2q83A:
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 ALA A 164
GLU A 554
LEU A  49
ARG A  47
LEU A   7
 None
 1.17A 1errA-2qxlA:
undetectable		 1errA-2qxlA:
16.54
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.
2r26 CITRATE SYNTHASE

(Thermoplasma
acidophilum) 		PF00285
(Citrate_synt) 		5 THR A 211
ALA A 213
LEU A 217
LEU A 197
ILE A 353
 None
 1.21A 1errA-2r26A:
undetectable		 1errA-2r26A:
19.46
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.
2r48 PHOSPHOTRANSFERASE
SYSTEM (PTS)
MANNOSE-SPECIFIC
ENZYME IIBCA
COMPONENT

(Bacillus
subtilis) 		PF02302
(PTS_IIB) 		5 ALA A  96
LEU A  97
LEU A  77
ILE A   6
LEU A  23
 None
 1.22A 1errA-2r48A:
undetectable		 1errA-2r48A:
18.14
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 THR G 279
ALA G 282
GLU G 285
ILE G 439
LEU G 303
 None
 1.05A 1errA-2uv8G:
undetectable		 1errA-2uv8G:
7.61
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.
2va1 URIDYLATE KINASE

(Ureaplasma
parvum) 		PF00696
(AA_kinase) 		5 THR A 182
ALA A 186
LEU A 187
MET A 194
ILE A 154
 None
 0.94A 1errA-2va1A:
undetectable		 1errA-2va1A:
19.49
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 THR A  28
ALA A  45
ASP A  46
MET A  40
LEU A  39
 None
 1.18A 1errA-2vqdA:
undetectable		 1errA-2vqdA:
20.58
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.
2w1z ROP2

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 ALA A 534
LEU A 532
LEU A 543
ILE A 483
LEU A 476
 None
 1.11A 1errA-2w1zA:
undetectable		 1errA-2w1zA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w35 ENDONUCLEASE V

(Thermotoga
maritima) 		PF04493
(Endonuclease_5) 		5 THR A 210
ASP A  43
LEU A  44
LEU A 100
ILE A 132
 None
MG  A1224 (-2.5A)
None
None
None
 1.22A 1errA-2w35A:
undetectable		 1errA-2w35A:
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.
2xub DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3

(Homo sapiens) 		PF05645
(RNA_pol_Rpc82)
PF08221
(HTH_9) 		5 ALA A 431
LEU A 435
MET A 398
LEU A 399
LEU A 370
 None
 0.91A 1errA-2xubA:
undetectable		 1errA-2xubA:
19.33
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		5 THR A  22
ALA A  25
ASP A  24
TRP A  87
LEU A  31
 None
 1.19A 1errA-3ayrA:
undetectable		 1errA-3ayrA:
21.51
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.
3bvh FIBRINOGEN GAMMA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 THR C 259
ALA C 260
ASP C 261
MET C 379
ILE C 367
 None
 0.97A 1errA-3bvhC:
undetectable		 1errA-3bvhC:
21.10
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.
3byv RHOPTRY KINASE

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 ALA A 548
LEU A 546
LEU A 404
ARG A 558
ILE A 497
 None
 1.21A 1errA-3byvA:
undetectable		 1errA-3byvA:
22.37
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ALA A 272
LEU A 276
TRP A 305
ARG A 316
ILE A 428
 9CR  A7223 (-4.2A)
None
None
9CR  A7223 (-3.7A)
None
 1.03A 1errA-3dzuA:
21.9		 1errA-3dzuA:
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 THR A 118
ALA A 158
LEU A 156
LEU A 165
ILE A 112
 None
 1.24A 1errA-3e1hA:
undetectable		 1errA-3e1hA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 THR A 154
ALA A 133
GLU A 128
LEU A 132
ILE A  20
 None
 1.16A 1errA-3eagA:
undetectable		 1errA-3eagA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 THR A 259
ALA A 260
ASP A 261
MET A 379
ILE A 367
 None
 1.02A 1errA-3fibA:
undetectable		 1errA-3fibA:
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.
3g87 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 THR A  33
ALA A  36
ASP A  37
LEU A  40
LEU A  72
 None
 1.19A 1errA-3g87A:
undetectable		 1errA-3g87A:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gc2 O-SUCCINYLBENZOATE
SYNTHASE

(Salmonella
enterica) 		PF13378
(MR_MLE_C) 		5 ALA A  92
GLU A  93
LEU A  91
ARG A 301
ILE A 261
 None
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-3.2A)
None
 1.21A 1errA-3gc2A:
undetectable		 1errA-3gc2A:
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.
3gcg L0028 (MITOCHONDRIA
ASSOCIATED PROTEIN)

(Escherichia
coli) 		PF03278
(IpaB_EvcA) 		5 THR B 190
ALA B 193
GLU B 196
LEU B 195
LEU B  91
 None
 1.26A 1errA-3gcgB:
undetectable		 1errA-3gcgB:
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.
3j4r A-KINASE ANCHOR
PROTEIN 18

(Homo sapiens) 		PF10469
(AKAP7_NLS)
PF10470
(AKAP7_RIRII_bdg) 		5 THR A 150
ALA A 152
GLU A 155
LEU A 156
LEU A 140
 None
 1.25A 1errA-3j4rA:
undetectable		 1errA-3j4rA:
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 THR A  48
ALA A  51
ASP A  52
GLU A  54
LEU A  55
 None
 0.49A 1errA-3l0zA:
undetectable		 1errA-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 108
ASP A 111
LEU A 110
LEU A 153
LEU A 208
 None
 1.14A 1errA-3l2zA:
undetectable		 1errA-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.
3lv9 PUTATIVE TRANSPORTER

(Clostridioides
difficile) 		PF00571
(CBS) 		5 THR A  54
GLU A  51
MET A  32
ILE A  66
LEU A 117
 None
 1.20A 1errA-3lv9A:
undetectable		 1errA-3lv9A:
21.34
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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		5 THR A 217
ALA A 219
ASP A 220
LEU A 223
LEU A 265
 None
 1.17A 1errA-3o07A:
undetectable		 1errA-3o07A:
20.34
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 THR A 229
LEU A 361
LEU A 139
ILE A 169
LEU A 160
 None
 1.25A 1errA-3olzA:
undetectable		 1errA-3olzA:
21.48
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.
3qp6 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		5 THR A 175
ALA A 143
LEU A 104
ILE A 185
LEU A  58
 None
 1.05A 1errA-3qp6A:
undetectable		 1errA-3qp6A:
23.13
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.
3qp8 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF03472
(Autoind_bind) 		5 THR A 175
ALA A 143
LEU A 104
ILE A 185
LEU A  58
 None
 1.07A 1errA-3qp8A:
undetectable		 1errA-3qp8A:
22.78
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.
3r5t FERRIC VIBRIOBACTIN
ABC TRANSPORTER,
PERIPLASMIC FERRIC
VIBRIOBACTIN-BINDING
PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 THR A  60
ALA A  58
ASP A 126
ILE A  68
LEU A 154
 None
None
VBN  A   1 (-3.7A)
None
None
 1.06A 1errA-3r5tA:
undetectable		 1errA-3r5tA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		5 ALA A 165
ASP A 166
MET A  64
ILE A  57
LEU A 195
 None
 1.23A 1errA-3rjuA:
undetectable		 1errA-3rjuA:
21.35
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.
3s83 GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		5 THR A 387
ASP A 421
MET A 358
ILE A 304
LEU A 342
 None
 1.14A 1errA-3s83A:
undetectable		 1errA-3s83A:
25.78
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.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2) 		PF00144
(Beta-lactamase) 		5 ALA A 297
GLU A 300
LEU A 298
ARG A 132
ILE A 203
 None
 1.06A 1errA-3wwxA:
undetectable		 1errA-3wwxA:
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.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2) 		PF00144
(Beta-lactamase) 		5 ALA A 297
LEU A 298
LEU A 107
ARG A 132
ILE A 203
 None
 1.24A 1errA-3wwxA:
undetectable		 1errA-3wwxA:
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 THR A  98
ALA A 151
LEU A 128
MET A 134
ILE A 168
 None
None
None
CL  A 503 ( 4.9A)
None
 1.17A 1errA-3zx2A:
undetectable		 1errA-3zx2A:
18.81
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.
4akx EXOU

(Pseudomonas
aeruginosa) 		PF01734
(Patatin) 		5 THR B 231
ALA B 234
LEU B 236
MET B 138
LEU B 269
 None
 1.14A 1errA-4akxB:
undetectable		 1errA-4akxB:
17.57
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.
4b0n POLYKETIDE SYNTHASE
III

(Ectocarpus
siliculosus) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 311
ASP A 312
LEU A 315
ILE A 338
LEU A 347
 None
 1.25A 1errA-4b0nA:
undetectable		 1errA-4b0nA:
19.76
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.
4h8n CONJUGATED
POLYKETONE REDUCTASE
C2

(Candida
parapsilosis) 		PF00248
(Aldo_ket_red) 		5 THR A 242
ALA A 236
GLU A 237
LEU A 235
LEU A 220
 None
None
None
None
NDP  A3001 ( 4.2A)
 1.09A 1errA-4h8nA:
undetectable		 1errA-4h8nA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
LEU D 276
TRP D 305
ARG D 316
ILE D 428
 None
 1.05A 1errA-4j5xD:
22.2		 1errA-4j5xD:
29.51
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		5 THR A 504
ASP A 501
LEU A 518
ILE A 485
LEU A 478
 None
 1.24A 1errA-4k17A:
undetectable		 1errA-4k17A:
18.51
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 THR A  41
ALA A  40
TRP A 255
LEU A 213
ILE A  27
 None
 1.11A 1errA-4mwzA:
undetectable		 1errA-4mwzA:
19.93
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 291
TRP A 320
ARG A 331
 None
 0.57A 1errA-4n1yA:
27.5		 1errA-4n1yA:
38.46
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
TRP A 320
ARG A 331
MET A 358
 None
 0.96A 1errA-4n1yA:
27.5		 1errA-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.
4nnz PROBABLE ZINC
PROTEASE

(Pseudomonas
aeruginosa) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA A 393
ASP A 390
GLU A 392
LEU A 391
ILE A 402
 None
 1.24A 1errA-4nnzA:
undetectable		 1errA-4nnzA:
20.98
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.
4pmd ENDO-1,4-BETA-XYLANA
SE

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		5 ALA A 107
ASP A 102
GLU A 106
ARG A 156
ILE A 165
 None
 1.14A 1errA-4pmdA:
undetectable		 1errA-4pmdA:
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.
4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA

(Escherichia
coli;
Mycobacterium
tuberculosis) 		PF01648
(ACPS)
PF13416
(SBP_bac_8) 		5 GLU A 388
LEU A  44
LEU A 437
ARG A 475
ILE A 432
 None
 1.09A 1errA-4qvhA:
undetectable		 1errA-4qvhA:
18.70
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 ALA A 134
LEU A 131
LEU A 165
ILE A 119
LEU A  30
 None
 1.13A 1errA-4u1rA:
undetectable		 1errA-4u1rA:
15.75
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		5 ASP A 121
GLU A 123
MET A 365
LEU A 368
ARG A 367
 None
 1.18A 1errA-4v39A:
undetectable		 1errA-4v39A:
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.
4wh0 PUTATIVE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00857
(Isochorismatase) 		5 THR A 123
ALA A 126
GLU A 129
ILE A  82
LEU A  16
 None
 1.05A 1errA-4wh0A:
undetectable		 1errA-4wh0A:
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.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 THR A 399
ALA A 402
ASP A 403
LEU A 406
ILE A 101
 None
 1.14A 1errA-4wjbA:
undetectable		 1errA-4wjbA:
20.92
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.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		5 THR A  49
LEU A  45
LEU A  69
ARG A 104
LEU A 295
 None
 1.25A 1errA-4wr2A:
undetectable		 1errA-4wr2A:
20.76
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.
4yo7 SUGAR ABC
TRANSPORTER
(SUGAR-BINDING
PROTEIN)

(Bacillus
halodurans) 		PF13407
(Peripla_BP_4) 		5 ASP A 234
LEU A 238
MET A 216
LEU A 215
ILE A 226
 None
 1.21A 1errA-4yo7A:
undetectable		 1errA-4yo7A:
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.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 THR A 206
ALA A 209
GLU A 212
LEU A 213
ILE A 186
 None
 0.71A 1errA-5allA:
undetectable		 1errA-5allA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bsw 4-COUMARATE--COA
LIGASE 2

(Nicotiana
tabacum) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 THR A  54
ALA A  56
ASP A  57
GLU A  59
LEU A  60
 None
 1.13A 1errA-5bswA:
undetectable		 1errA-5bswA:
18.43
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.
5dz6 POLYKETIDE
BIOSYNTHESIS MALONYL
COA-ACYL CARRIER
PROTEIN TRANSACYLASE
PKSC

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		5 THR A  28
ALA A  31
ASP A  32
LEU A  35
LEU A  67
 None
 1.21A 1errA-5dz6A:
undetectable		 1errA-5dz6A:
24.46
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.
5hzx NUDIX (NUCLEOSIDE
DIPHOSPHATE LINKED
MOIETY X)-TYPE MOTIF
1

(Danio rerio) 		PF00293
(NUDIX) 		5 ALA A  49
GLU A  52
LEU A  53
LEU A   7
ILE A  70
 None
None
None
2GE  A 201 ( 4.0A)
None
 1.09A 1errA-5hzxA:
undetectable		 1errA-5hzxA:
20.54
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 THR A 211
ALA A 214
GLU A 217
ARG A  95
LEU A 195
 None
 0.83A 1errA-5iq0A:
undetectable		 1errA-5iq0A:
22.59
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 THR L 168
ALA L 171
ASP L 172
LEU L 211
ILE L 206
 None
 1.12A 1errA-5jfcL:
undetectable		 1errA-5jfcL:
19.33
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 THR A 566
ALA A 596
ASP A 593
LEU A 575
ILE A 561
 None
 1.26A 1errA-5jxrA:
undetectable		 1errA-5jxrA:
16.74
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.
5jxt CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		no annotation 5 THR B 566
ALA B 596
ASP B 593
LEU B 575
ILE B 561
 None
 1.25A 1errA-5jxtB:
undetectable		 1errA-5jxtB:
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.
5m72 SIGNAL RECOGNITION
PARTICLE SUBUNIT
SRP68
SIGNAL RECOGNITION
PARTICLE SUBUNIT
SRP72

(Homo sapiens) 		PF16969
(SRP68)
PF17004
(SRP_TPR_like) 		5 THR A  46
ALA A  47
ASP A  44
LEU A  31
LEU B 603
 None
 1.23A 1errA-5m72A:
undetectable		 1errA-5m72A:
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.
5sy5 ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3)
PF14598
(PAS_11) 		5 ALA B 152
TRP B 108
LEU B 287
ILE B 142
LEU A 159
 None
 1.19A 1errA-5sy5B:
undetectable		 1errA-5sy5B:
20.73
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 THR A 299
ALA A 302
GLU A 305
TRP A 335
MET A 340
LEU A 343
ARG A 346
ILE A 376
LEU A 476
 None
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
None
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-3.5A)
 0.78A 1errA-5toaA:
29.8		 1errA-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) 		9 THR A 299
GLU A 305
LEU A 306
TRP A 335
MET A 340
LEU A 343
ARG A 346
ILE A 376
LEU A 476
 None
EST  A 601 (-2.4A)
None
None
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-3.5A)
 0.90A 1errA-5toaA:
29.8		 1errA-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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 5 ALA A 272
LEU A 276
TRP A 305
ARG A 316
ILE A 428
 9CR  A 503 (-3.5A)
None
None
9CR  A 503 (-3.0A)
None
 1.24A 1errA-5uanA:
21.7		 1errA-5uanA:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 THR A 168
ALA A 171
ASP A 172
LEU A 211
ILE A 206
 None
 1.15A 1errA-5vj7A:
undetectable		 1errA-5vj7A:
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 5 ALA A 213
ASP A 214
LEU A 196
ILE A 253
LEU A 242
 None
 1.21A 1errA-5w3wA:
undetectable		 1errA-5w3wA:
14.22
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.
6aoo MALATE DEHYDROGENASE

(Haemophilus
influenzae) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 297
ALA A 300
ASP A 301
GLU A 303
LEU A 304
 None
 0.68A 1errA-6aooA:
undetectable		 1errA-6aooA:
23.71
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 GLU A  49
LEU A  48
LEU A 301
ARG A 335
ILE A 290
 CL  A 402 ( 4.6A)
None
CL  A 402 (-4.8A)
CL  A 402 (-3.5A)
None
 1.01A 1errA-6dllA:
undetectable		 1errA-6dllA:
16.10