SIMILAR PATTERNS OF AMINO ACIDS FOR 3ERD_B_DESB800_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.
1bmt METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 ALA A 682
LEU A 697
LEU A 663
ARG A 662
LEU A 732
 None
 1.41A 3erdB-1bmtA:
0.0		 3erdB-1bmtA:
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.
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
 1.42A 3erdB-1cj2A:
undetectable		 3erdB-1cj2A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iv3 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Thermus
thermophilus) 		PF02542
(YgbB) 		5 ALA A  40
LEU A 129
LEU A  96
HIS A 108
LEU A 112
 None
 1.45A 3erdB-1iv3A:
undetectable		 3erdB-1iv3A:
22.09
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.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 ALA A 290
GLU A 294
LEU A 273
LEU A 253
LEU A 282
 None
 1.46A 3erdB-1j1uA:
undetectable		 3erdB-1j1uA:
24.10
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.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 MET A 648
ARG A 660
HIS A 782
LEU A 783
MET A 786
 None
 0.96A 3erdB-1nl3A:
0.1		 3erdB-1nl3A:
13.73
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.
1nst HEPARAN SULFATE
N-DEACETYLASE/N-SULF
OTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 ALA A 758
GLU A 762
LEU A 863
LEU A 862
LEU A 703
 None
 1.44A 3erdB-1nstA:
undetectable		 3erdB-1nstA:
20.56
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) 		10 MET A 343
ALA A 350
GLU A 353
LEU A 384
LEU A 387
ARG A 394
MET A 421
HIS A 524
LEU A 525
MET A 528
 EST  A   1 ( 4.0A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
EST  A   1 (-4.0A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
None
 0.43A 3erdB-1pcgA:
38.2		 3erdB-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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		5 ALA A 287
LEU A 292
LEU A 307
MET A 253
HIS A 249
 None
 1.30A 3erdB-1r8gA:
0.0		 3erdB-1r8gA:
23.04
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 102
LEU A 146
LEU A 147
ARG A  27
LEU A 156
 None
 1.38A 3erdB-1uagA:
undetectable		 3erdB-1uagA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ub3 ALDOLASE PROTEIN

(Thermus
thermophilus) 		PF01791
(DeoC) 		5 ALA A 141
GLU A 140
LEU A 125
ARG A 176
LEU A  92
 None
 1.28A 3erdB-1ub3A:
undetectable		 3erdB-1ub3A:
23.99
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.
1x3u TRANSCRIPTIONAL
REGULATORY PROTEIN
FIXJ

(Sinorhizobium
meliloti) 		PF00196
(GerE) 		5 MET A 184
ALA A 178
HIS A 191
LEU A 192
MET A 195
 None
 1.32A 3erdB-1x3uA:
undetectable		 3erdB-1x3uA:
14.56
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A 210
LEU A 221
ARG A 158
HIS A 182
LEU A 181
 None
 1.45A 3erdB-1xtzA:
undetectable		 3erdB-1xtzA:
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.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		5 ALA A 286
GLU A 288
LEU A 277
LEU A 274
LEU A 182
 None
 1.40A 3erdB-1yniA:
undetectable		 3erdB-1yniA:
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.
2di3 BACTERIAL REGULATORY
PROTEINS, GNTR
FAMILY

(Corynebacterium
glutamicum) 		PF00392
(GntR)
PF07729
(FCD) 		5 ALA A 123
GLU A 124
LEU A 203
LEU A 200
MET A 164
 None
 1.33A 3erdB-2di3A:
undetectable		 3erdB-2di3A:
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.
2fek LOW MOLECULAR WEIGHT
PROTEIN-TYROSINE-PHO
SPHATASE WZB

(Escherichia
coli) 		PF01451
(LMWPc) 		5 GLU A 132
LEU A  23
LEU A  22
LEU A  80
MET A 102
 None
 1.38A 3erdB-2fekA:
undetectable		 3erdB-2fekA:
20.07
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)
 0.44A 3erdB-2gpvA:
27.3		 3erdB-2gpvA:
36.40
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.
2jh9 VP4 CORE PROTEIN

(Bluetongue
virus) 		PF05059
(Orbi_VP4) 		5 GLU A 630
LEU A 568
LEU A 458
HIS A 554
LEU A 555
 None
 1.43A 3erdB-2jh9A:
undetectable		 3erdB-2jh9A:
18.42
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) 		10 MET A 343
ALA A 350
GLU A 353
LEU A 384
LEU A 387
ARG A 394
MET A 421
HIS A 524
LEU A 525
MET A 528
 EST  A 596 (-4.8A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
None
 0.56A 3erdB-2ocfA:
37.1		 3erdB-2ocfA:
99.61
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.
2p58 PUTATIVE TYPE III
SECRETION PROTEIN
YSCG

(Yersinia pestis) 		PF09477
(Type_III_YscG) 		5 MET C 109
GLU C  71
LEU C  59
LEU C  74
ARG C  93
 None
 1.49A 3erdB-2p58C:
undetectable		 3erdB-2p58C:
18.49
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.
2qz4 PARAPLEGIN

(Homo sapiens) 		PF00004
(AAA) 		5 MET A 373
ALA A 453
LEU A 465
LEU A 346
LEU A 436
 None
 1.45A 3erdB-2qz4A:
undetectable		 3erdB-2qz4A:
22.81
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.
2rko VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 ALA A 346
LEU A 319
LEU A 401
LEU A 327
MET A 330
 None
 0.89A 3erdB-2rkoA:
undetectable		 3erdB-2rkoA:
19.71
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.
2wa5 FILAMIN-B

(Homo sapiens) 		PF00307
(CH) 		5 ALA A  83
LEU A  94
LEU A  84
HIS A 120
LEU A 117
 None
 1.32A 3erdB-2wa5A:
undetectable		 3erdB-2wa5A:
23.65
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.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 ALA A  77
LEU A 211
LEU A 127
MET A 186
LEU A 193
 None
 1.12A 3erdB-2wyxA:
undetectable		 3erdB-2wyxA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		5 ALA A 288
GLU A 291
LEU A 257
LEU A 265
LEU A 273
 None
 1.34A 3erdB-2yy5A:
undetectable		 3erdB-2yy5A:
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 GLU A  73
LEU A  87
LEU A  82
ARG A  28
MET A  67
 None
 1.39A 3erdB-2zwvA:
undetectable		 3erdB-2zwvA:
21.26
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.
2zzw ABC TRANSPORTER,
SOLUTE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF03480
(DctP) 		5 MET A 330
ALA A 337
GLU A 336
LEU A 112
ARG A 140
 None
 1.37A 3erdB-2zzwA:
undetectable		 3erdB-2zzwA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjd TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Jannaschia sp.
CCS1) 		PF00440
(TetR_N)
PF13305
(WHG) 		5 ALA A  34
LEU A  58
LEU A  55
HIS A  51
LEU A  16
 None
 1.21A 3erdB-3cjdA:
undetectable		 3erdB-3cjdA:
24.05
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ALA A 529
GLU A 531
LEU A 515
LEU A 532
LEU A 505
 None
 1.34A 3erdB-3cp8A:
undetectable		 3erdB-3cp8A:
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.
3ec4 PUTATIVE
ACETYLTRANSFERASE
FROM THE GNAT FAMILY

(Novosphingobium
aromaticivorans) 		PF08445
(FR47) 		5 ALA A  40
LEU A 223
LEU A  63
ARG A   9
LEU A  54
 None
 1.44A 3erdB-3ec4A:
undetectable		 3erdB-3ec4A:
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.
3emk GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 ALA A  74
GLU A  75
LEU A 118
LEU A 122
ARG A 129
 None
 1.34A 3erdB-3emkA:
undetectable		 3erdB-3emkA:
21.66
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.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 ALA A  76
GLU A  85
LEU A 101
LEU A 104
HIS A 112
 None
 1.50A 3erdB-3f9kA:
undetectable		 3erdB-3f9kA:
20.43
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.
3fhc ATP-DEPENDENT RNA
HELICASE DDX19B
NUCLEAR PORE COMPLEX
PROTEIN NUP214

(Homo sapiens) 		PF00270
(DEAD)
PF12894
(ANAPC4_WD40) 		5 ALA B 197
LEU B 168
ARG A 348
MET B 263
LEU B 166
 None
 1.27A 3erdB-3fhcB:
undetectable		 3erdB-3fhcB:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G

(Thermus
thermophilus) 		PF02527
(GidB) 		5 ALA A 139
GLU A 140
LEU A 170
LEU A 169
LEU A  85
 SAH  A 303 (-3.8A)
SAH  A 303 (-3.4A)
None
SAH  A 303 ( 4.9A)
None
 1.49A 3erdB-3g8aA:
undetectable		 3erdB-3g8aA:
24.26
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.
3hoc FILAMIN-A

(Homo sapiens) 		PF00307
(CH) 		5 ALA A 110
LEU A 121
LEU A 111
HIS A 147
LEU A 144
 None
 1.25A 3erdB-3hocA:
undetectable		 3erdB-3hocA:
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.
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11

(Homo sapiens) 		PF00621
(RhoGEF) 		5 MET A 796
GLU A 902
LEU A 889
LEU A 906
LEU A 742
 None
 1.23A 3erdB-3kz1A:
undetectable		 3erdB-3kz1A:
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 GLU A 295
LEU A 315
LEU A 290
MET A  52
LEU A 360
 None
 1.41A 3erdB-3mduA:
undetectable		 3erdB-3mduA:
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.
3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		5 GLU B  41
LEU B 281
ARG B 171
MET B  98
LEU B 121
 None
 1.34A 3erdB-3o3mB:
undetectable		 3erdB-3o3mB:
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.
3o7j OHCU DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF09349
(OHCU_decarbox) 		5 GLU A 161
LEU A 158
ARG A  49
HIS A  80
LEU A  83
 None
 1.31A 3erdB-3o7jA:
undetectable		 3erdB-3o7jA:
24.48
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.
3pm6 PUTATIVE
FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Coccidioides
immitis) 		PF01116
(F_bP_aldolase) 		5 ALA A  58
LEU A  66
HIS A  84
LEU A  85
MET A 114
 None
 1.37A 3erdB-3pm6A:
undetectable		 3erdB-3pm6A:
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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 MET A 287
GLU A 314
LEU A 299
ARG A 260
LEU A 270
 None
 1.39A 3erdB-3q3hA:
undetectable		 3erdB-3q3hA:
17.75
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.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 ALA A 281
LEU A 294
LEU A 290
ARG A 314
LEU A 261
 None
 1.47A 3erdB-3tqoA:
undetectable		 3erdB-3tqoA:
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.
3w8g MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 225
GLU A 226
LEU A 237
HIS A 285
LEU A 284
 None
 1.32A 3erdB-3w8gA:
undetectable		 3erdB-3w8gA:
18.67
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.
3zee PARTITIONING
DEFECTIVE 3 HOMOLOG

(Rattus
norvegicus) 		PF12053
(DUF3534) 		5 MET A  21
ALA A  69
LEU A  51
LEU A  59
LEU A  26
 None
 1.24A 3erdB-3zeeA:
undetectable		 3erdB-3zeeA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 ALA A 379
GLU A 382
LEU A 392
LEU A 389
LEU A 178
 None
 1.21A 3erdB-3zlbA:
undetectable		 3erdB-3zlbA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4akx EXOU

(Pseudomonas
aeruginosa) 		PF01734
(Patatin) 		5 ALA B 122
LEU B 109
LEU B 374
LEU B 151
MET B 155
 None
 1.01A 3erdB-4akxB:
undetectable		 3erdB-4akxB:
17.24
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.
4b7l FILAMIN-B

(Homo sapiens) 		PF00307
(CH)
PF00630
(Filamin) 		5 ALA A  83
LEU A  94
LEU A  84
HIS A 120
LEU A 117
 None
 1.23A 3erdB-4b7lA:
undetectable		 3erdB-4b7lA:
22.32
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.
4f0x MALONYL-COA
DECARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF05292
(MCD)
PF17408
(MCD_N) 		5 LEU A 379
LEU A 378
MET A 436
LEU A 398
MET A 399
 None
 1.26A 3erdB-4f0xA:
undetectable		 3erdB-4f0xA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT
PREDICTED MEMBRANE
PROTEIN

(Lactobacillus
brevis) 		PF02361
(CbiQ)
PF07155
(ECF-ribofla_trS) 		5 ALA T 175
GLU T 174
LEU T 208
ARG T 215
LEU S  39
 None
 1.32A 3erdB-4hzuT:
undetectable		 3erdB-4hzuT:
21.92
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
LEU D 309
ARG D 316
HIS D 435
LEU D 436
 None
 0.99A 3erdB-4j5xD:
25.0		 3erdB-4j5xD:
28.32
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.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 ALA A 280
LEU A 203
LEU A 281
HIS A 142
MET A 140
 None
 1.37A 3erdB-4jn6A:
undetectable		 3erdB-4jn6A:
21.75
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
MET A 358
 None
 0.72A 3erdB-4n1yA:
31.5		 3erdB-4n1yA:
38.91
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.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 MET E 316
ALA E 279
LEU E 283
LEU E 282
LEU E 308
 None
 1.24A 3erdB-4obuE:
undetectable		 3erdB-4obuE:
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.
4pt2 ENCAPSULIN PROTEIN

(Myxococcus
xanthus) 		no annotation 5 ALA P 164
GLU P 167
LEU P 278
LEU P 152
LEU P 189
 None
 1.49A 3erdB-4pt2P:
undetectable		 3erdB-4pt2P:
23.42
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.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 ALA A 211
GLU A 210
LEU A  89
LEU A  88
LEU A 123
 None
 1.49A 3erdB-4qyjA:
undetectable		 3erdB-4qyjA:
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		5 MET A1073
ALA A1070
GLU A1063
LEU A1051
LEU A1050
 None
 1.41A 3erdB-4r04A:
undetectable		 3erdB-4r04A:
8.43
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.
4z6y TBC1 DOMAIN FAMILY
MEMBER 7

(Homo sapiens) 		no annotation 5 GLU B 241
LEU B 181
MET B 251
HIS B 191
LEU B 192
 None
 1.47A 3erdB-4z6yB:
undetectable		 3erdB-4z6yB:
23.33
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.
4zz7 METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Oceanimonas
doudoroffii) 		PF00171
(Aldedh) 		5 MET A 198
ALA A 191
GLU A 190
LEU A  75
LEU A  74
 None
 0.99A 3erdB-4zz7A:
undetectable		 3erdB-4zz7A:
18.61
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 MET A1550
ALA A1557
LEU A1520
LEU A1521
LEU A1542
 None
 1.49A 3erdB-5a31A:
undetectable		 3erdB-5a31A:
10.62
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		5 ALA A 151
GLU A 152
LEU A 183
LEU A  96
LEU A 112
 None
 1.48A 3erdB-5czzA:
undetectable		 3erdB-5czzA:
13.51
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.
5hl3 LMO2470 PROTEIN

(Listeria
monocytogenes) 		PF00560
(LRR_1)
PF12354
(Internalin_N)
PF13855
(LRR_8) 		5 MET A  90
ALA A  96
LEU A  75
LEU A  72
LEU A  78
 None
 1.39A 3erdB-5hl3A:
undetectable		 3erdB-5hl3A:
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 ALA A 210
GLU A 209
LEU A  94
LEU A  93
LEU A 128
 None
 1.46A 3erdB-5iuwA:
undetectable		 3erdB-5iuwA:
19.00
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.
5kzs PUTATIVE CELL
SURFACE PROTEIN,
SIMILAR TO
INTERNALIN PROTEINS

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF13855
(LRR_8) 		5 MET A  90
ALA A  96
LEU A  75
LEU A  72
LEU A  78
 None
 1.46A 3erdB-5kzsA:
undetectable		 3erdB-5kzsA:
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.
5mlc 50S RIBOSOMAL
PROTEIN L3,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00297
(Ribosomal_L3) 		5 GLU E 142
LEU E 149
LEU E 144
HIS E 156
LEU E 157
 None
None
None
C  A2803 ( 3.7A)
None
 1.46A 3erdB-5mlcE:
undetectable		 3erdB-5mlcE:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o1p ALPHA-AMINOADIPIC
SEMIALDEHYDE
SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 ALA A 797
GLU A 798
LEU A 764
LEU A 803
LEU A 742
 None
 1.16A 3erdB-5o1pA:
undetectable		 3erdB-5o1pA:
20.67
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) 		8 MET A 295
ALA A 302
GLU A 305
LEU A 339
ARG A 346
HIS A 475
LEU A 476
MET A 479
 EST  A 601 ( 4.4A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 (-4.1A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
None
 0.37A 3erdB-5toaA:
31.6		 3erdB-5toaA:
56.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wjp CYCLOHEXADIENYL
DEHYDRATASE

(Candidatus
Pelagibacter
ubique) 		PF00497
(SBP_bac_3) 		5 ALA A 185
GLU A 184
LEU A 195
LEU A 188
ARG A 165
 None
 1.45A 3erdB-5wjpA:
undetectable		 3erdB-5wjpA:
20.21
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.
5x87 BESTROPHIN

(Klebsiella
pneumoniae) 		no annotation 5 ALA A  82
GLU A  81
LEU A  85
ARG A 201
LEU A 272
 None
 1.35A 3erdB-5x87A:
undetectable		 3erdB-5x87A:
22.48
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.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 ALA A  77
LEU A 211
LEU A 127
MET A 186
LEU A 193
 None
 1.10A 3erdB-6bu3A:
undetectable		 3erdB-6bu3A:
16.00
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.
6d85 PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT ALPHA

(Bos taurus) 		no annotation 5 ALA B 185
LEU B 131
LEU B 165
LEU B 174
MET B 176
 None
 1.50A 3erdB-6d85B:
undetectable		 3erdB-6d85B:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.43A 3erdB-6dllA:
undetectable		 3erdB-6dllA:
16.46