SIMILAR PATTERNS OF AMINO ACIDS FOR 3H52_A_486A3

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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 ASN A  55
GLY A  56
VAL A  84
LEU A 184
ILE A 208
 None
 1.21A 3h52A-1f4hA:
undetectable		 3h52A-1f4hA:
12.42
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.
1f7u ARGINYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 LEU A 119
GLY A 532
GLN A 533
LEU A 584
ILE A 127
 None
 1.34A 3h52A-1f7uA:
undetectable		 3h52A-1f7uA:
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.
1fs5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Escherichia
coli) 		PF01182
(Glucosamine_iso) 		5 GLY A 136
VAL A 199
MET A 237
LEU A 212
ILE A 226
 None
 1.40A 3h52A-1fs5A:
undetectable		 3h52A-1fs5A:
23.92
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.
1gzj EGI

(Thermoascus
aurantiacus) 		PF00150
(Cellulase) 		5 GLY A 236
VAL A 266
MET A 260
LEU A 257
ILE A 222
 None
 1.18A 3h52A-1gzjA:
undetectable		 3h52A-1gzjA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A 318
GLY A 237
VAL A 292
MET A 281
ILE A 272
 None
 1.35A 3h52A-1hrdA:
undetectable		 3h52A-1hrdA:
19.73
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 LEU A  63
GLY A 112
MET A 519
ARG A  29
LEU A 545
 None
 1.40A 3h52A-1kv9A:
undetectable		 3h52A-1kv9A:
15.82
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.
1lme PEPTIDE DEFORMYLASE

(Thermotoga
maritima) 		PF01327
(Pep_deformylase) 		5 MET A  33
LEU A  45
GLY A  44
VAL A 126
LEU A 134
 None
 1.37A 3h52A-1lmeA:
undetectable		 3h52A-1lmeA:
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.
1lqw PEPTIDE DEFORMYLASE
PDF1

(Staphylococcus
aureus) 		PF01327
(Pep_deformylase) 		5 MET A  37
LEU A  61
GLY A  60
VAL A 151
LEU A 159
 None
 1.33A 3h52A-1lqwA:
undetectable		 3h52A-1lqwA:
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.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 ASN A  87
VAL A 216
ARG A 177
MET A 127
LEU A  82
 None
 1.30A 3h52A-1nffA:
undetectable		 3h52A-1nffA:
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.
1qnl ALIPHATIC AMIDASE
EXPRESSION-REGULATIN
G PROTEIN

(Pseudomonas
aeruginosa) 		PF13433
(Peripla_BP_5) 		5 LEU A 295
GLY A 297
VAL A  44
LEU A 101
ILE A  10
 None
 1.31A 3h52A-1qnlA:
undetectable		 3h52A-1qnlA:
19.59
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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 LEU A 306
GLY A 467
MET A 456
LEU A 463
ILE A  19
 None
FAD  A 600 ( 4.4A)
None
None
FAD  A 600 (-4.7A)
 1.40A 3h52A-1sezA:
undetectable		 3h52A-1sezA:
19.54
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.
1v3y PEPTIDE DEFORMYLASE

(Thermus
thermophilus) 		PF01327
(Pep_deformylase) 		5 MET A  33
LEU A  45
GLY A  44
VAL A 142
LEU A 150
 None
 1.39A 3h52A-1v3yA:
undetectable		 3h52A-1v3yA:
24.62
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.
1vey PEPTIDE DEFORMYLASE

(Leptospira
interrogans) 		PF01327
(Pep_deformylase) 		5 MET A  37
GLY A  48
VAL A 140
LEU A 148
ILE A  82
 None
EPE  A1716 (-4.1A)
EPE  A1716 ( 4.9A)
None
None
 1.38A 3h52A-1veyA:
undetectable		 3h52A-1veyA:
19.08
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.
1vey PEPTIDE DEFORMYLASE

(Leptospira
interrogans) 		PF01327
(Pep_deformylase) 		5 MET A  37
GLY A  64
VAL A  77
ARG A  70
ILE A  82
 None
None
None
EPE  A1716 (-3.4A)
None
 1.43A 3h52A-1veyA:
undetectable		 3h52A-1veyA:
19.08
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.
1vey PEPTIDE DEFORMYLASE

(Leptospira
interrogans) 		PF01327
(Pep_deformylase) 		5 MET A  37
LEU A  49
VAL A 140
LEU A 148
ILE A  82
 None
None
EPE  A1716 ( 4.9A)
None
None
 1.39A 3h52A-1veyA:
undetectable		 3h52A-1veyA:
19.08
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.
1vme FLAVOPROTEIN

(Thermotoga
maritima) 		PF00258
(Flavodoxin_1) 		5 MET A 263
GLY A 314
VAL A 345
MET A 326
ILE A 322
 None
 1.21A 3h52A-1vmeA:
undetectable		 3h52A-1vmeA:
22.38
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.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 LEU A  57
ASN A  58
GLY A  61
MET A  70
LEU A 201
 None
 0.99A 3h52A-1vquA:
undetectable		 3h52A-1vquA:
21.04
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 MET A 296
GLY A 423
VAL A 434
LEU A  57
ILE A 368
 None
 1.18A 3h52A-1w5dA:
undetectable		 3h52A-1w5dA:
20.39
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.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 415
VAL A 413
ARG A 348
LEU A 428
ILE A 457
 None
 1.34A 3h52A-1xdiA:
undetectable		 3h52A-1xdiA:
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.
1y8q UBIQUITIN-LIKE 2
ACTIVATING ENZYME
E1B

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL)
PF16195
(UBA2_C) 		5 LEU B  38
GLY B  40
VAL B  15
LEU B  32
ILE B  44
 None
 1.43A 3h52A-1y8qB:
undetectable		 3h52A-1y8qB:
16.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ASN A 705
GLY A 708
GLN A 711
MET A 742
ARG A 752
LEU A 873
 BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
 0.69A 3h52A-2ax9A:
24.4		 3h52A-2ax9A:
48.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLY A 708
GLN A 711
MET A 742
ARG A 752
MET A 787
LEU A 873
 BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.6A)
BHM  A   1 (-4.4A)
 1.12A 3h52A-2ax9A:
24.4		 3h52A-2ax9A:
48.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 704
ASN A 705
GLY A 708
GLN A 711
MET A 742
ARG A 752
 BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
 0.68A 3h52A-2ax9A:
24.4		 3h52A-2ax9A:
48.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 704
GLY A 708
GLN A 711
MET A 742
ARG A 752
MET A 787
 BHM  A   1 (-4.0A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.6A)
 1.00A 3h52A-2ax9A:
24.4		 3h52A-2ax9A:
48.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bi3 PHOSPHOSERINE
AMINOTRANSFERASE

(Bacillus
alcalophilus) 		PF00266
(Aminotran_5) 		5 LEU A 324
ASN A 325
GLY A 326
VAL A 330
LEU A 303
 None
 1.40A 3h52A-2bi3A:
undetectable		 3h52A-2bi3A:
22.82
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 LEU A 176
ASN A 291
GLY A 174
VAL A 167
ARG A 350
 None
 1.24A 3h52A-2epgA:
undetectable		 3h52A-2epgA:
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.
2ew7 PEPTIDE DEFORMYLASE

(Helicobacter
pylori) 		PF01327
(Pep_deformylase) 		5 MET A  35
LEU A  47
GLY A  46
LEU A 143
ILE A  78
 None
 1.24A 3h52A-2ew7A:
undetectable		 3h52A-2ew7A:
23.77
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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 MET A 141
ASN A 311
GLY A 309
LEU A 305
ILE A 323
 CYN  A 813 (-4.5A)
None
MGD  A 812 (-3.2A)
None
None
 1.21A 3h52A-2jirA:
undetectable		 3h52A-2jirA:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		7 LEU A  32
ASN A  33
GLN A  39
MET A  70
ARG A  80
MET A 115
LEU A 201
 1CA  A 247 (-4.0A)
1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 3.7A)
1CA  A 247 ( 4.2A)
 0.78A 3h52A-2q3yA:
25.8		 3h52A-2q3yA:
63.53
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.
2qi9 VITAMIN B12 IMPORT
SYSTEM PERMEASE
PROTEIN BTUC

(Escherichia
coli) 		PF01032
(FecCD) 		5 GLY A 244
VAL A 247
MET A  77
LEU A  91
ILE A 128
 None
 1.35A 3h52A-2qi9A:
undetectable		 3h52A-2qi9A:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 ASN A 157
GLY A 155
VAL A  42
MET A 204
LEU A 116
 None
 1.23A 3h52A-2r9hA:
undetectable		 3h52A-2r9hA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 MET A 428
LEU A 402
GLY A 406
MET A 438
LEU A 459
 None
 1.21A 3h52A-2z7xA:
undetectable		 3h52A-2z7xA:
19.43
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.
3cwu DNA-3-METHYLADENINE
GLYCOSYLASE 2

(Escherichia
coli) 		PF00730
(HhH-GPD)
PF06029
(AlkA_N) 		5 GLY A 123
GLN A 124
VAL A 126
MET A 174
LEU A 169
 None
 1.16A 3h52A-3cwuA:
undetectable		 3h52A-3cwuA:
21.55
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.
3ezs AMINOTRANSFERASE
ASPB

(Helicobacter
pylori) 		PF00155
(Aminotran_1_2) 		5 LEU A 325
ASN A 328
GLY A 330
LEU A  14
ILE A  18
 None
 1.30A 3h52A-3ezsA:
undetectable		 3h52A-3ezsA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gc2 O-SUCCINYLBENZOATE
SYNTHASE

(Salmonella
enterica) 		PF13378
(MR_MLE_C) 		5 LEU A 109
GLY A 288
VAL A 260
LEU A 158
ILE A 129
 None
SIN  A 400 (-3.2A)
None
None
EPE  A 402 (-4.4A)
 1.38A 3h52A-3gc2A:
undetectable		 3h52A-3gc2A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		5 LEU A 426
ASN A 425
GLY A 428
ARG A 376
ILE A 449
 None
 1.42A 3h52A-3h0lA:
undetectable		 3h52A-3h0lA:
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.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		5 MET A 339
LEU A 345
GLN A 369
MET A 364
LEU A 332
 None
 1.36A 3h52A-3iacA:
undetectable		 3h52A-3iacA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		5 GLY A 678
GLN A 679
VAL A 680
LEU A 405
ILE A 650
 None
 1.19A 3h52A-3j4pA:
undetectable		 3h52A-3j4pA:
17.81
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		5 LEU A  99
ASN A 124
GLY A 163
VAL A 207
ILE A 186
 None
 1.41A 3h52A-3jyfA:
undetectable		 3h52A-3jyfA:
21.45
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.
3kaq FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 LEU A   7
GLY A  56
VAL A 105
MET A  81
LEU A  83
 None
 1.32A 3h52A-3kaqA:
undetectable		 3h52A-3kaqA:
19.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ASN A 719
GLY A 722
GLN A 725
MET A 756
ARG A 766
LEU A 887
 WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.0A)
 0.84A 3h52A-3kbaA:
26.0		 3h52A-3kbaA:
53.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 718
ASN A 719
GLY A 722
MET A 756
ARG A 766
MET A 801
LEU A 887
 WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-4.0A)
 0.69A 3h52A-3kbaA:
26.0		 3h52A-3kbaA:
53.33
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 104
VAL A  29
MET A  50
LEU A  97
MET A  85
 None
 1.40A 3h52A-3mqtA:
undetectable		 3h52A-3mqtA:
18.32
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 MET A 536
LEU A 525
GLY A 350
VAL A 304
LEU A 502
 None
 1.36A 3h52A-3o8oA:
undetectable		 3h52A-3o8oA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oee ATP SYNTHASE SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 LEU A  66
GLY A  74
VAL A  43
LEU A  54
ILE A  49
 None
 1.04A 3h52A-3oeeA:
undetectable		 3h52A-3oeeA:
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.
3otn SUSD SUPERFAMILY
PROTEIN

(Parabacteroides
distasonis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 LEU A 377
ASN A 286
GLN A 276
VAL A 381
ILE A  69
 None
 1.39A 3h52A-3otnA:
undetectable		 3h52A-3otnA:
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.
3rv6 ISOCHORISMATE
SYNTHASE/ISOCHORISMA
TE-PYRUVATE LYASE
MBTI

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind) 		5 LEU A 100
GLY A 396
VAL A 257
MET A 350
LEU A  92
 None
 1.40A 3h52A-3rv6A:
undetectable		 3h52A-3rv6A:
19.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		8 LEU A  32
ASN A  33
GLY A  36
GLN A  39
MET A  70
ARG A  80
MET A 115
LEU A 201
 1CA  A 249 (-3.9A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 ( 4.2A)
 0.80A 3h52A-3ry9A:
26.2		 3h52A-3ry9A:
70.98
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 LEU A 866
VAL A 844
MET A 859
LEU A 875
ILE A 814
 None
 1.42A 3h52A-3szeA:
undetectable		 3h52A-3szeA:
14.78
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.
3t95 AUTOINDUCER
2-BINDING PROTEIN
LSRB

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 MET A 138
LEU A 135
GLN A 309
VAL A 308
LEU A 323
 None
 1.20A 3h52A-3t95A:
undetectable		 3h52A-3t95A:
22.36
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.
3u04 PEPTIDE DEFORMYLASE
1

(Ehrlichia
chaffeensis) 		PF01327
(Pep_deformylase) 		5 MET A  35
LEU A  47
GLY A  46
LEU A 158
ILE A  92
 None
None
BB2  A 210 (-4.6A)
None
None
 1.28A 3h52A-3u04A:
undetectable		 3h52A-3u04A:
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.
3vp8 GENERAL
TRANSCRIPTIONAL
COREPRESSOR TUP1

(Saccharomyces
cerevisiae) 		PF08581
(Tup_N) 		5 MET A  45
LEU A  49
ASN A  46
GLN A  53
ARG A  56
 None
 1.16A 3h52A-3vp8A:
undetectable		 3h52A-3vp8A:
19.42
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.
3w0f ENDONUCLEASE 8-LIKE
3

(Mus musculus) 		PF06831
(H2TH) 		5 LEU A   9
ASN A  10
GLY A  11
VAL A  77
ILE A 105
 None
None
None
IOD  A 302 (-4.6A)
IOD  A 305 ( 4.3A)
 1.35A 3h52A-3w0fA:
undetectable		 3h52A-3w0fA:
22.55
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 LEU X  27
ASN X  28
GLY X  31
LEU X  95
ILE X 100
 None
 1.13A 3h52A-3zyyX:
undetectable		 3h52A-3zyyX:
16.64
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 MET X  24
ASN X  28
GLY X  31
LEU X  95
ILE X 100
 FES  X 800 ( 4.7A)
None
None
None
None
 1.25A 3h52A-3zyyX:
undetectable		 3h52A-3zyyX:
16.64
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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		5 LEU A 306
GLY A 301
VAL A 206
LEU A 318
ILE A 316
 None
 1.24A 3h52A-4d1iA:
undetectable		 3h52A-4d1iA:
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.
4fcy TRANSPOSASE

(Escherichia
virus Mu) 		PF02316
(HTH_Tnp_Mu_1)
PF02914
(DDE_2)
PF09039
(HTH_Tnp_Mu_2)
PF09299
(Mu-transpos_C) 		5 LEU A 521
ASN A 520
GLY A 501
VAL A 497
ILE A 554
 None
 0.96A 3h52A-4fcyA:
undetectable		 3h52A-4fcyA:
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.
4gqy CBS
DOMAIN-CONTAINING
PROTEIN CBSX2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00571
(CBS) 		5 LEU A 218
GLY A  80
ARG A 225
LEU A  89
ILE A 215
 None
 1.33A 3h52A-4gqyA:
undetectable		 3h52A-4gqyA:
20.93
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 MET C 669
ASN C 673
VAL C 680
MET C 728
LEU C 769
 None
 1.32A 3h52A-4hb4C:
undetectable		 3h52A-4hb4C:
13.52
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.
4k29 ENOYL-COA
HYDRATASE/ISOMERASE

(Xanthobacter
autotrophicus) 		PF00378
(ECH_1) 		5 LEU A 111
GLY A 113
VAL A  92
LEU A 148
ILE A 143
 None
 1.36A 3h52A-4k29A:
undetectable		 3h52A-4k29A:
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.
4k7d E3 UBIQUITIN-PROTEIN
LIGASE PARKIN

(Rattus
norvegicus) 		PF01485
(IBR) 		5 ASN A 428
GLY A 430
MET A 192
LEU A 176
MET A 434
 None
 1.29A 3h52A-4k7dA:
undetectable		 3h52A-4k7dA:
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.
4kpk ENOYL-COA
HYDRATASE/ISOMERASE

(Shewanella
pealeana) 		PF00378
(ECH_1) 		5 GLY A  77
ARG A  34
MET A  49
LEU A 104
ILE A 159
 None
 1.17A 3h52A-4kpkA:
undetectable		 3h52A-4kpkA:
21.60
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.
4l9m RAS GUANYL-RELEASING
PROTEIN 1

(Homo sapiens) 		PF00130
(C1_1)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF13405
(EF-hand_6) 		5 LEU A 301
GLY A 299
VAL A 452
LEU A 285
ILE A 254
 None
 1.41A 3h52A-4l9mA:
undetectable		 3h52A-4l9mA:
17.39
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.
4leu PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT3G46870

(Arabidopsis
thaliana) 		PF13041
(PPR_2) 		5 LEU A 220
GLY A 222
LEU A 214
MET A 198
ILE A 185
 None
 1.43A 3h52A-4leuA:
undetectable		 3h52A-4leuA:
19.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 LEU A 563
ASN A 564
GLY A 567
GLN A 570
VAL A 571
MET A 601
ARG A 611
MET A 646
LEU A 732
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 ( 4.2A)
 0.61A 3h52A-4p6wA:
27.4		 3h52A-4p6wA:
94.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 MET A 560
ASN A 564
VAL A 571
MET A 601
ARG A 611
MET A 646
LEU A 732
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 ( 4.2A)
 0.87A 3h52A-4p6wA:
27.4		 3h52A-4p6wA:
94.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 769
ASN A 770
GLN A 776
ARG A 817
MET A 852
LEU A 938
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 ( 3.9A)
 0.82A 3h52A-4udbA:
24.9		 3h52A-4udbA:
55.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 769
GLN A 776
MET A 807
ARG A 817
MET A 852
LEU A 938
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 ( 3.9A)
 0.74A 3h52A-4udbA:
24.9		 3h52A-4udbA:
55.21
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.
4uuy VACUOLAR MEMBRANE
PROTEIN PEP3

(Saccharomyces
cerevisiae) 		PF05131
(Pep3_Vps18) 		5 ASN A  81
GLY A  83
MET A  86
MET A  65
ILE A  64
 None
 1.43A 3h52A-4uuyA:
undetectable		 3h52A-4uuyA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		5 LEU A 255
GLY A 257
VAL A 212
MET A 269
ILE A 262
 None
 1.36A 3h52A-4wgxA:
undetectable		 3h52A-4wgxA:
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.
4wu0 SIMILAR TO YTER
(BACILUS SUBTILIS)

(Clostridium
acetobutylicum) 		PF07470
(Glyco_hydro_88) 		5 LEU A  29
GLY A  33
VAL A  37
LEU A 313
ILE A  12
 None
 0.83A 3h52A-4wu0A:
undetectable		 3h52A-4wu0A:
19.62
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.
4wu0 SIMILAR TO YTER
(BACILUS SUBTILIS)

(Clostridium
acetobutylicum) 		PF07470
(Glyco_hydro_88) 		5 LEU A  29
GLY A  33
VAL A  37
MET A   8
LEU A 313
 None
 1.33A 3h52A-4wu0A:
undetectable		 3h52A-4wu0A:
19.62
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.
4wy9 PUTATIVE MCP-TYPE
SIGNAL TRANSDUCTION
PROTEIN

(Campylobacter
jejuni) 		PF02743
(dCache_1) 		5 MET A 136
LEU A 111
GLY A 211
MET A  78
LEU A  87
 None
 1.43A 3h52A-4wy9A:
undetectable		 3h52A-4wy9A:
21.04
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 ASN A  82
VAL A 227
ARG A 182
MET A 126
LEU A  77
 None
 1.41A 3h52A-4xgnA:
undetectable		 3h52A-4xgnA:
20.14
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.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		5 ASN A 231
GLY A 255
VAL A 253
MET A 265
ILE A 236
 UNL  A 401 ( 3.9A)
None
None
None
None
 1.41A 3h52A-4yleA:
undetectable		 3h52A-4yleA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 LEU A  57
GLY A  55
VAL A  82
LEU A  62
ILE A  67
 None
 1.40A 3h52A-5d3mA:
undetectable		 3h52A-5d3mA:
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.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A 142
ASN A 178
GLY A 181
VAL A 185
ILE A 201
 GLU  A 301 ( 3.6A)
GLU  A 301 ( 3.8A)
None
None
None
 1.19A 3h52A-5dtbA:
undetectable		 3h52A-5dtbA:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 326
MET A 583
MET A 230
LEU A 225
MET A 336
 None
 1.36A 3h52A-5favA:
undetectable		 3h52A-5favA:
15.90
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 GLY A 304
VAL A  96
MET A 277
LEU A 298
ILE A 347
 None
 1.32A 3h52A-5h7dA:
undetectable		 3h52A-5h7dA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASN A 434
GLY A 376
LEU A 173
MET A 422
ILE A 421
 None
 1.25A 3h52A-5i51A:
undetectable		 3h52A-5i51A:
16.76
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.
5kl0 PHOSPHOGLUCOMUTASE

(Xanthomonas
citri) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 280
GLY A 282
GLN A 310
VAL A 311
ILE A 288
 None
 1.20A 3h52A-5kl0A:
undetectable		 3h52A-5kl0A:
17.56
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 MET A 381
LEU A 260
GLY A 264
LEU A 304
ILE A 297
 None
None
BXP  A 510 (-3.5A)
None
None
 1.25A 3h52A-5l6fA:
undetectable		 3h52A-5l6fA:
18.73
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.
5m89 SPLICEOSOME WD40 SC

(Chaetomium
thermophilum) 		no annotation 5 LEU A 335
GLY A 333
GLN A 168
VAL A 167
ILE A 294
 None
 1.03A 3h52A-5m89A:
undetectable		 3h52A-5m89A:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mj7 UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF01156
(IU_nuc_hydro) 		5 ASN A 178
GLY A 160
VAL A 200
LEU A 130
ILE A 133
 TRS  A 402 (-3.2A)
None
None
None
CA  A 401 ( 4.7A)
 1.42A 3h52A-5mj7A:
undetectable		 3h52A-5mj7A:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 GLN A 776
MET A 807
ARG A 817
MET A 852
LEU A 938
 ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
ECV  A1101 ( 4.3A)
 1.35A 3h52A-5mwpA:
24.6		 3h52A-5mwpA:
53.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 6 LEU A 769
ASN A 770
GLN A 776
MET A 807
ARG A 817
LEU A 938
 ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
 0.73A 3h52A-5mwpA:
24.6		 3h52A-5mwpA:
53.73
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.
5t57 SEMIALDEHYDE
DEHYDROGENASE
NAD-BINDING PROTEIN

(Cupriavidus
necator) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 ASN A 225
GLY A 228
MET A 199
LEU A 196
ILE A 120
 None
 1.43A 3h52A-5t57A:
undetectable		 3h52A-5t57A:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 8 LEU A 559
ASN A 560
GLY A 563
GLN A 566
VAL A 567
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.55A 3h52A-5uc1A:
20.8		 3h52A-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		8 LEU A  32
ASN A  33
GLY A  36
GLN A  39
VAL A  40
ARG A  80
MET A 115
LEU A 201
 1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 ( 3.8A)
 0.57A 3h52A-5ufsA:
26.8		 3h52A-5ufsA:
76.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		8 LEU A  32
GLY A  36
GLN A  39
VAL A  40
MET A  70
ARG A  80
MET A 115
LEU A 201
 1TA  A 301 (-3.5A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 ( 3.8A)
 0.58A 3h52A-5ufsA:
26.8		 3h52A-5ufsA:
76.68
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.
5uow N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR1-8A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 GLY A 250
GLN A 147
ARG A 124
LEU A 361
ILE A 266
 None
 1.28A 3h52A-5uowA:
undetectable		 3h52A-5uowA:
15.22
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.
5v0i TRYPTOPHAN--TRNA
LIGASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 LEU A  25
ASN A  20
GLY A  23
GLN A  27
ILE A  18
 None
AMP  A 401 (-3.4A)
AMP  A 401 (-3.5A)
None
None
 1.40A 3h52A-5v0iA:
undetectable		 3h52A-5v0iA:
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.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1

(Homo sapiens) 		PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3) 		5 LEU A1614
ASN A1611
GLN A 602
VAL A 617
ARG A 606
 None
 1.30A 3h52A-5xjyA:
undetectable		 3h52A-5xjyA:
7.77
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.
5xog RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE

(Komagataella
phaffii) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 LEU C 143
GLY C 141
GLN C 140
LEU C 100
ILE C  69
 None
 1.22A 3h52A-5xogC:
undetectable		 3h52A-5xogC:
20.38
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.
5z03 MUREIN TETRAPEPTIDE
CARBOXYPEPTIDASE

(Escherichia
coli) 		no annotation 5 ASN A 176
GLY A 175
LEU A 213
MET A 179
ILE A 181
 None
 1.37A 3h52A-5z03A:
undetectable		 3h52A-5z03A:
15.15
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 LEU A 379
GLY A 602
VAL A 444
LEU A 613
ILE A 609
 None
 1.36A 3h52A-5z9sA:
undetectable		 3h52A-5z9sA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 LEU A 115
GLY A 113
GLN A 122
VAL A 111
ILE A   3
 None
 1.21A 3h52A-6avoA:
undetectable		 3h52A-6avoA:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 MET A 174
LEU A 173
MET A 453
LEU A 448
ILE A 446
 None
 1.42A 3h52A-6ay4A:
undetectable		 3h52A-6ay4A:
20.04
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 5 MET A1006
ASN A1225
GLY A1014
VAL A1018
MET A1226
 None
 1.34A 3h52A-6b3rA:
undetectable		 3h52A-6b3rA:
17.80
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 MET A 420
LEU A 419
GLY A 380
LEU A 476
ILE A 403
 None
 1.42A 3h52A-6bzcA:
undetectable		 3h52A-6bzcA:
15.88