SIMILAR PATTERNS OF AMINO ACIDS FOR 5WGQ_A_ESTA601_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.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		5 ALA A  86
LEU A  84
MET A 452
GLY A 170
LEU A 167
 None
 1.03A 5wgqA-1b1yA:
0.2		 5wgqA-1b1yA:
9.80
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.
1b66 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Rattus rattus) 		PF01242
(PTPS) 		5 ALA A  82
GLU A  81
LEU A 120
MET A  70
LEU A 126
 None
 1.27A 5wgqA-1b66A:
undetectable		 5wgqA-1b66A:
22.39
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.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
GLY A  14
 None
 1.31A 5wgqA-1cj2A:
undetectable		 5wgqA-1cj2A:
11.25
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.
1hg3 TRIOSEPHOSPHATE
ISOMERASE

(Pyrococcus
woesei) 		PF00121
(TIM)
PF05690
(ThiG) 		5 ALA A  83
GLU A  82
LEU A  80
ARG A 112
GLY A  77
 None
 1.43A 5wgqA-1hg3A:
0.0		 5wgqA-1hg3A:
16.96
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.
1kfr HEMOGLOBIN

(Paramphistomum
epiclitum) 		PF00042
(Globin) 		5 ALA A 131
GLU A 127
GLY A  15
HIS A  17
LEU A  14
 None
 1.48A 5wgqA-1kfrA:
0.5		 5wgqA-1kfrA:
18.84
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 ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
MET A 421
GLY A 521
HIS A 524
LEU A 525
 EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.29A 5wgqA-1pcgA:
36.9		 5wgqA-1pcgA:
100.00
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT

(Thauera
aromatica) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ALA B 174
LEU B 190
ARG B 183
GLY B 114
LEU B 112
 None
None
None
FAD  B1900 (-3.3A)
None
 1.49A 5wgqA-1sb3B:
0.0		 5wgqA-1sb3B:
15.79
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.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		5 ALA A  74
GLU A  78
LEU A 226
GLY A 209
LEU A 208
 None
 1.38A 5wgqA-1u60A:
undetectable		 5wgqA-1u60A:
12.17
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.
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 147
ARG A  27
GLY A 136
LEU A 156
 None
 1.46A 5wgqA-1uagA:
0.1		 5wgqA-1uagA:
16.29
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.
1v2d GLUTAMINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 ALA A  69
GLU A  73
LEU A  70
ARG A 223
GLY A  62
 None
 1.41A 5wgqA-1v2dA:
0.0		 5wgqA-1v2dA:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH) 		5 ALA A  64
GLU A  67
LEU A   5
GLY A   8
LEU A  73
 None
 1.46A 5wgqA-1wpnA:
0.0		 5wgqA-1wpnA:
17.55
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.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLU A 331
LEU A 365
ARG A 372
GLY A 489
LEU A 492
 None
 1.33A 5wgqA-1xb7A:
28.8		 5wgqA-1xb7A:
14.41
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		5 ALA C  48
GLU C  35
ARG C 499
HIS B  23
LEU B  24
 None
 1.23A 5wgqA-2advC:
undetectable		 5wgqA-2advC:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		5 GLU C  35
ARG C 499
GLY C 454
HIS B  23
LEU B  24
 None
 1.33A 5wgqA-2advC:
undetectable		 5wgqA-2advC:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aeg HYPOTHETICAL PROTEIN
AGR_PAT_140

(Agrobacterium
fabrum) 		PF02586
(SRAP) 		5 ALA A 219
GLU A 218
MET A 212
GLY A 157
LEU A 182
 None
 1.43A 5wgqA-2aegA:
undetectable		 5wgqA-2aegA:
17.54
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ALA A  90
GLU A  93
LEU A  94
GLY A  35
LEU A  36
 None
 1.30A 5wgqA-2c4mA:
undetectable		 5wgqA-2c4mA:
7.25
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.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 ALA A 226
GLU A 230
LEU A 253
MET A 254
GLY A 261
 None
 1.47A 5wgqA-2chqA:
undetectable		 5wgqA-2chqA:
15.67
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.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 ALA A 160
GLU A 155
LEU A 315
GLY A 239
LEU A 238
 None
 1.14A 5wgqA-2fvgA:
undetectable		 5wgqA-2fvgA:
14.24
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.
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)
 0.47A 5wgqA-2gpvA:
27.1		 5wgqA-2gpvA:
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.
2hx0 PUTATIVE DNA-BINDING
PROTEIN

(Salmonella
enterica) 		PF03479
(DUF296) 		5 ALA A  40
GLU A 117
LEU A  37
ARG A 141
LEU A  28
 None
 1.27A 5wgqA-2hx0A:
undetectable		 5wgqA-2hx0A:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
MET A 421
GLY A 521
HIS A 524
LEU A 525
 EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.40A 5wgqA-2ocfA:
36.2		 5wgqA-2ocfA:
100.00
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.
2q3f RAS-RELATED
GTP-BINDING PROTEIN
D

(Homo sapiens) 		PF04670
(Gtr1_RagA) 		5 ALA A 135
GLU A 134
LEU A  51
GLY A  55
HIS A 160
 None
None
None
GNP  A 401 (-3.3A)
GNP  A 401 (-3.5A)
 1.49A 5wgqA-2q3fA:
undetectable		 5wgqA-2q3fA:
16.94
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 524
LEU A 493
MET A 492
GLY A 575
LEU A 582
 None
None
None
PGR  A1742 (-4.2A)
None
 1.24A 5wgqA-2xe4A:
undetectable		 5wgqA-2xe4A:
7.93
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.
2y5c ADRENODOXIN-LIKE
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00111
(Fer2) 		5 ALA A 100
GLU A 101
ARG A  17
GLY A  22
LEU A  93
 None
 1.35A 5wgqA-2y5cA:
undetectable		 5wgqA-2y5cA:
23.68
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.
3ay3 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Chromohalobacter
salexigens) 		PF01370
(Epimerase) 		5 LEU A   2
MET A   1
GLY A  23
HIS A  43
LEU A  22
 None
 1.44A 5wgqA-3ay3A:
undetectable		 5wgqA-3ay3A:
15.65
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 ALA A  82
GLU A  86
ARG A 206
GLY A  51
HIS A  50
 None
 1.24A 5wgqA-3b89A:
undetectable		 5wgqA-3b89A:
16.94
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.
3dbk ELASTASE

(Pseudomonas
aeruginosa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 196
LEU A 185
ARG A 205
GLY A 171
HIS A 140
 None
None
None
None
ZN  A 302 ( 3.2A)
 1.36A 5wgqA-3dbkA:
undetectable		 5wgqA-3dbkA:
13.31
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.
3dip ENOLASE

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 310
LEU A 282
MET A 281
GLY A 269
LEU A 292
 None
 1.43A 5wgqA-3dipA:
undetectable		 5wgqA-3dipA:
10.41
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.
3dls PAS
DOMAIN-CONTAINING
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A1185
LEU A1189
ARG A1120
GLY A1230
LEU A1232
 None
 1.48A 5wgqA-3dlsA:
undetectable		 5wgqA-3dlsA:
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.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA X 319
GLU X 318
LEU X 314
ARG X  11
GLY X 220
 None
 1.12A 5wgqA-3e3bX:
undetectable		 5wgqA-3e3bX:
11.68
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.
3fd5 SELENIDE, WATER
DIKINASE 1

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ALA A 155
GLU A 154
LEU A 247
ARG A 101
LEU A 111
 None
 1.33A 5wgqA-3fd5A:
undetectable		 5wgqA-3fd5A:
13.88
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.
3h5t TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Corynebacterium
glutamicum) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 ALA A  98
GLU A 330
LEU A 333
GLY A  72
LEU A 104
 None
 1.47A 5wgqA-3h5tA:
undetectable		 5wgqA-3h5tA:
11.38
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 ALA A 247
LEU A 163
MET A 216
GLY A 213
LEU A 209
 None
 1.28A 5wgqA-3l0zA:
undetectable		 5wgqA-3l0zA:
12.22
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 ALA A 108
GLU A 193
ARG A 189
GLY A 125
LEU A 126
 None
 1.46A 5wgqA-3l2zA:
undetectable		 5wgqA-3l2zA:
15.41
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ALA A 213
LEU A 302
MET A 303
GLY A 343
LEU A 347
 None
 1.49A 5wgqA-3lkdA:
undetectable		 5wgqA-3lkdA:
9.67
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.
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
 1.45A 5wgqA-3o3mB:
undetectable		 5wgqA-3o3mB:
12.37
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.
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
 1.37A 5wgqA-3o7jA:
undetectable		 5wgqA-3o7jA:
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		5 ALA A  78
GLU A  81
LEU A 167
GLY A 160
LEU A 159
 None
 1.28A 5wgqA-3wrtA:
undetectable		 5wgqA-3wrtA:
14.76
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.
4a0w T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Bos taurus) 		PF00118
(Cpn60_TCP1) 		5 LEU A 465
MET A 467
MET A  35
GLY A  31
LEU A  30
 None
 1.49A 5wgqA-4a0wA:
undetectable		 5wgqA-4a0wA:
10.23
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 510
LEU A 479
MET A 478
GLY A 561
LEU A 568
 None
 1.25A 5wgqA-4bp8A:
undetectable		 5wgqA-4bp8A:
8.04
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.
4c0e NOT1

(Chaetomium
thermophilum) 		PF04054
(Not1) 		5 ALA A2050
GLU A2101
ARG A1935
GLY A1992
LEU A1994
 None
 1.43A 5wgqA-4c0eA:
undetectable		 5wgqA-4c0eA:
10.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 ALA A 759
GLU A 756
LEU A 851
GLY A 844
LEU A 846
 SEP  A 755 ( 3.9A)
None
None
None
None
 1.46A 5wgqA-4crsA:
undetectable		 5wgqA-4crsA:
17.03
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 GLU A 300
LEU A 295
MET A  57
GLY A 367
LEU A 364
 None
 1.37A 5wgqA-4f0lA:
undetectable		 5wgqA-4f0lA:
10.13
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A 176
GLU A 175
ARG A 184
GLY A 352
LEU A 374
 None
 1.45A 5wgqA-4ha6A:
undetectable		 5wgqA-4ha6A:
10.04
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.
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
GLY S  43
 None
 1.36A 5wgqA-4hzuT:
undetectable		 5wgqA-4hzuT:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 5wgqA-4hzuT:
undetectable		 5wgqA-4hzuT:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 ALA A 400
GLU A 397
LEU A 477
ARG A 221
GLY A 482
 None
 1.38A 5wgqA-4i7iA:
undetectable		 5wgqA-4i7iA:
13.98
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.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A 123
GLU A 122
LEU A  96
ARG A 116
LEU A 110
 None
 1.36A 5wgqA-4iv5A:
undetectable		 5wgqA-4iv5A:
10.48
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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 GLU A 229
LEU A 186
ARG A 227
GLY A 166
LEU A 165
 None
None
None
SAH  A 401 (-3.4A)
None
 1.48A 5wgqA-4m73A:
undetectable		 5wgqA-4m73A:
14.92
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.
4md8 CASEIN KINASE II
SUBUNIT ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA E 318
GLU E 317
LEU E 313
ARG E  10
GLY E 219
 None
 1.14A 5wgqA-4md8E:
undetectable		 5wgqA-4md8E:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mks ENOLASE 2

(Lactobacillus
gasseri) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 122
GLU A 125
LEU A 126
GLY A 136
LEU A 134
 None
 1.38A 5wgqA-4mksA:
undetectable		 5wgqA-4mksA:
11.63
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 ALA A 287
GLU A 290
LEU A 324
ARG A 331
GLY A 444
 None
 1.06A 5wgqA-4n1yA:
31.6		 5wgqA-4n1yA:
23.36
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 ALA A 287
GLU A 290
LEU A 324
ARG A 331
MET A 358
GLY A 447
 None
 0.69A 5wgqA-4n1yA:
31.6		 5wgqA-4n1yA:
23.36
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.
4n5c CARGO-TRANSPORT
PROTEIN YPP1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 771
GLU A 770
LEU A 702
ARG A 813
LEU A 761
 None
 1.40A 5wgqA-4n5cA:
undetectable		 5wgqA-4n5cA:
7.15
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.
4otd SERINE/THREONINE-PRO
TEIN KINASE N1

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 ALA A 723
GLU A 720
LEU A 815
GLY A 808
LEU A 810
 None
 1.44A 5wgqA-4otdA:
undetectable		 5wgqA-4otdA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oy4 CHIMERA PROTEIN OF
CALMODULIN, GPF-LIKE
PROTEIN EOSFP, AND
MYOSIN LIGHT CHAIN
KINASE

(Gallus gallus;
Lobophyllia
hemprichii;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 GLU A 219
ARG A 306
MET A 254
GLY A 267
LEU A 282
 CR8  A 303 ( 3.6A)
CR8  A 303 ( 2.9A)
None
None
None
 1.48A 5wgqA-4oy4A:
undetectable		 5wgqA-4oy4A:
10.54
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.
4rzm EPOXIDE HYDROLASE
LASB

(Streptomyces
lasaliensis) 		PF12680
(SnoaL_2) 		5 LEU A 233
MET A 234
MET A 219
GLY A 225
LEU A 227
 None
None
LSD  A 301 ( 4.1A)
None
LSD  A 301 ( 4.6A)
 1.31A 5wgqA-4rzmA:
undetectable		 5wgqA-4rzmA:
12.32
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.
4xqe HOMOSPERMIDINE
SYNTHASE

(Blastochloris
viridis) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLU A  31
LEU A  27
ARG A  38
GLY A  18
LEU A  91
 None
None
None
NAD  A 501 ( 3.9A)
NAD  A 501 (-4.5A)
 1.42A 5wgqA-4xqeA:
undetectable		 5wgqA-4xqeA:
14.40
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.
4z1a 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Helicobacter
pylori) 		PF00793
(DAHP_synth_1) 		5 GLU A 261
LEU A 257
MET A 256
GLY A  16
LEU A  33
 None
 1.45A 5wgqA-4z1aA:
undetectable		 5wgqA-4z1aA:
15.94
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.
4z8t AVRRXO1-ORF1

(Xanthomonas
oryzae) 		no annotation 5 ALA A 143
GLU A 144
LEU A 140
GLY A 228
LEU A 229
 None
 1.43A 5wgqA-4z8tA:
undetectable		 5wgqA-4z8tA:
11.71
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		5 ALA A 694
GLU A 697
LEU A 654
ARG A 145
GLY A 647
 None
None
None
None
FLC  A1002 (-3.3A)
 1.34A 5wgqA-5fdnA:
3.7		 5wgqA-5fdnA:
6.81
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.
5icq METHYLOCYSTIS PARVUS
OBBP MBNE

(Methylocystis
parvus) 		PF00496
(SBP_bac_5) 		5 ALA A 341
GLU A 340
LEU A 424
ARG A 395
GLY A 429
 None
None
None
SO4  A 703 (-3.7A)
None
 1.39A 5wgqA-5icqA:
undetectable		 5wgqA-5icqA:
9.29
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.
5jmv PROBABLE
BIFUNCTIONAL TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22) 		5 ALA A 254
LEU A 249
MET A 248
MET A 288
GLY A 114
 None
 1.49A 5wgqA-5jmvA:
undetectable		 5wgqA-5jmvA:
13.29
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.
5k8c 3-DEOXY-ALPHA-D-MANN
O-OCTULOSONATE
8-OXIDASE

(Shewanella
oneidensis) 		PF00465
(Fe-ADH) 		5 ALA A 216
LEU A 203
ARG A 224
GLY A 255
HIS A 258
 None
None
None
None
ZN  A 407 (-3.5A)
 1.27A 5wgqA-5k8cA:
undetectable		 5wgqA-5k8cA:
13.88
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 ALA A 749
GLU A 748
LEU A 645
MET A 646
ARG A 744
 None
 1.45A 5wgqA-5kf7A:
undetectable		 5wgqA-5kf7A:
5.37
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.
5l9o DEOXYFRUCTOSYL-AMINO
ACID TRANSPORTER
PERIPLASMIC BINDING
PROTEIN

(Agrobacterium
fabrum) 		PF00497
(SBP_bac_3) 		5 ALA A 168
GLU A 169
LEU A 177
GLY A 153
LEU A 151
 None
 1.32A 5wgqA-5l9oA:
undetectable		 5wgqA-5l9oA:
15.67
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.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT ALPHA

(Nostoc sp. PCC
7120) 		no annotation 5 ALA A 235
GLU A 236
LEU A 208
GLY A 205
LEU A 203
 None
 1.47A 5wgqA-5n3uA:
undetectable		 5wgqA-5n3uA:
22.58
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ALA A 178
LEU A 118
MET A 117
GLY A  91
HIS A  93
 None
 1.36A 5wgqA-5opjA:
undetectable		 5wgqA-5opjA:
25.00
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ALA A 178
LEU A 118
MET A 117
GLY A  92
HIS A  93
 None
 1.40A 5wgqA-5opjA:
undetectable		 5wgqA-5opjA:
25.00
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 5 ALA A 493
MET A 467
ARG A 174
GLY A 485
LEU A 499
 None
 1.41A 5wgqA-5oynA:
undetectable		 5wgqA-5oynA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ALA A 302
GLU A 305
LEU A 339
MET A 340
ARG A 346
GLY A 472
HIS A 475
LEU A 476
 EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 (-4.1A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.37A 5wgqA-5toaA:
31.7		 5wgqA-5toaA:
29.33
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.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		5 ALA A 193
GLU A 142
LEU A 146
GLY A 152
LEU A 149
 None
 1.02A 5wgqA-5u4nA:
undetectable		 5wgqA-5u4nA:
14.38
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.
5uhd RNA POLYMERASE SIGMA
FACTOR SIGA

(Mycobacterium
tuberculosis) 		PF00140
(Sigma70_r1_2)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 GLU F 398
LEU F 386
ARG F 392
GLY F 380
LEU F 379
 None
 1.33A 5wgqA-5uhdF:
undetectable		 5wgqA-5uhdF:
10.61
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
GLY A  14
 None
 1.29A 5wgqA-6dllA:
undetectable		 5wgqA-6dllA:
24.72
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.
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
 1.40A 5wgqA-6dllA:
undetectable		 5wgqA-6dllA:
24.72