SIMILAR PATTERNS OF AMINO ACIDS FOR 1GWR_B_ESTB600

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
LEU A 109
 None
 1.39A 1gwrB-1cj2A:
undetectable		 1gwrB-1cj2A:
20.40
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.
1h9m MOLYBDENUM-BINDING-P
ROTEIN

(Azotobacter
vinelandii) 		PF03459
(TOBE) 		5 LEU A  41
ALA A  23
GLU A  18
LEU A  16
LEU A 138
 None
 1.44A 1gwrB-1h9mA:
undetectable		 1gwrB-1h9mA:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 MET A 342
LEU A 349
GLU A 353
LEU A 387
MET A 388
ARG A 394
 None
EST  A   1 ( 4.8A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 (-3.7A)
 1.32A 1gwrB-1pcgA:
37.6		 1gwrB-1pcgA:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 MET A 343
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 (-3.7A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.32A 1gwrB-1pcgA:
37.6		 1gwrB-1pcgA:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 327
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.47A 1gwrB-1xb7A:
28.4		 1gwrB-1xb7A:
33.33
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 LEU A  60
ALA A  61
LEU A  46
MET A  47
LEU A  35
 None
 1.32A 1gwrB-2epgA:
0.0		 1gwrB-2epgA:
18.89
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.
2fe1 CONSERVED
HYPOTHETICAL PROTEIN
PAE0151

(Pyrobaculum
aerophilum) 		PF01850
(PIN) 		5 LEU A  38
ALA A  39
GLU A  42
HIS A  34
LEU A  75
 None
 1.13A 1gwrB-2fe1A:
undetectable		 1gwrB-2fe1A:
21.43
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.
2fy2 CHOLINE
O-ACETYLTRANSFERASE

(Homo sapiens) 		PF00755
(Carn_acyltransf) 		5 LEU A 164
GLU A 264
LEU A 260
HIS A 376
LEU A 235
 None
 1.50A 1gwrB-2fy2A:
0.3		 1gwrB-2fy2A:
17.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 271
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 ( 4.4A)
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)
 0.57A 1gwrB-2gpvA:
26.7		 1gwrB-2gpvA:
36.90
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.
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
 1.32A 1gwrB-2hx0A:
undetectable		 1gwrB-2hx0A:
22.92
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.
2mc3 MUS81 ENDONUCLEASE
HOMOLOG (YEAST),
ISOFORM CRA_B

(Homo sapiens) 		no annotation 5 LEU A  89
ALA A  90
LEU A  97
HIS A  22
LEU A  23
 None
 1.37A 1gwrB-2mc3A:
undetectable		 1gwrB-2mc3A:
19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 342
LEU A 349
GLU A 353
MET A 388
ARG A 394
 None
EST  A 596 ( 4.1A)
EST  A 596 (-2.7A)
None
EST  A 596 (-4.0A)
 1.45A 1gwrB-2ocfA:
36.5		 1gwrB-2ocfA:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 MET A 343
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 (-4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.42A 1gwrB-2ocfA:
36.5		 1gwrB-2ocfA:
99.59
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.
2oda HYPOTHETICAL PROTEIN
PSPTO_2114

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 MET A  53
LEU A  45
ALA A  44
LEU A 176
LEU A 183
 None
 1.49A 1gwrB-2odaA:
0.0		 1gwrB-2odaA:
24.30
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 321
ALA A 317
LEU A 353
HIS A 266
LEU A 306
 None
 1.35A 1gwrB-2wskA:
undetectable		 1gwrB-2wskA:
15.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mzv DECAPRENYL
DIPHOSPHATE SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		5 LEU A  62
ALA A  63
LEU A 317
HIS A  11
LEU A 324
 None
 1.42A 1gwrB-3mzvA:
undetectable		 1gwrB-3mzvA:
23.12
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.
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
 1.30A 1gwrB-3o7jA:
undetectable		 1gwrB-3o7jA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.39A 1gwrB-4hzuT:
undetectable		 1gwrB-4hzuT:
21.71
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 LEU A 286
ALA A 287
GLU A 290
LEU A 324
ARG A 331
 None
 0.41A 1gwrB-4n1yA:
30.8		 1gwrB-4n1yA:
39.29
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		5 MET A 213
LEU A 219
ALA A 220
LEU A 195
HIS A 239
 None
 1.35A 1gwrB-4nq1A:
undetectable		 1gwrB-4nq1A:
23.67
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.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 MET A  90
GLU A 105
LEU A 171
HIS A  24
LEU A  21
 None
 1.32A 1gwrB-4q5nA:
undetectable		 1gwrB-4q5nA:
24.44
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.
4q82 PHOSPHOLIPASE/CARBOX
YLESTERASE

(Haliangium
ochraceum) 		no annotation 5 LEU A 176
ALA A 202
LEU A 204
HIS A 216
LEU A 220
 None
 1.47A 1gwrB-4q82A:
undetectable		 1gwrB-4q82A:
21.31
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		5 MET A1073
GLU A1063
LEU A1069
MET A1517
HIS A1484
 None
 1.44A 1gwrB-4r04A:
undetectable		 1gwrB-4r04A:
8.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 LEU A 406
ALA A 407
GLU A 410
HIS A 449
LEU A 447
 None
 1.02A 1gwrB-4u98A:
undetectable		 1gwrB-4u98A:
19.44
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.
5a31 THE
ANAPHASE-PROMOTING
COMPLEX CHAIN R

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 LEU R 201
ALA R 202
LEU R 232
HIS R 221
LEU R 222
 None
 1.40A 1gwrB-5a31R:
undetectable		 1gwrB-5a31R:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 LEU A 208
ALA A 204
GLU A 178
LEU A 174
LEU A 229
 None
 1.37A 1gwrB-5hfjA:
undetectable		 1gwrB-5hfjA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 213
ALA A 214
GLU A 217
ARG A  95
LEU A 195
 None
 1.46A 1gwrB-5iq0A:
undetectable		 1gwrB-5iq0A:
22.47
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		5 LEU B 338
LEU B 301
MET B 275
HIS B 316
LEU B 313
 None
 1.39A 1gwrB-5m99B:
undetectable		 1gwrB-5m99B:
18.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 294
LEU A 301
GLU A 305
MET A 340
ARG A 346
 None
EST  A 601 ( 4.3A)
EST  A 601 (-2.4A)
EST  A 601 ( 4.8A)
EST  A 601 (-4.1A)
 1.23A 1gwrB-5toaA:
31.6		 1gwrB-5toaA:
59.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 MET A 295
LEU A 301
ALA A 302
GLU A 305
LEU A 339
MET A 340
ARG A 346
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 ( 4.3A)
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 (-4.4A)
EST  A 601 (-3.5A)
 0.38A 1gwrB-5toaA:
31.6		 1gwrB-5toaA:
59.76
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.
5y3t RANBP-TYPE AND
C3HC4-TYPE ZINC
FINGER-CONTAINING
PROTEIN 1
SHARPIN

(Mus musculus) 		no annotation 5 LEU A  13
ALA A  12
GLU A   9
LEU C 206
MET C 207
 None
 1.27A 1gwrB-5y3tA:
undetectable		 1gwrB-5y3tA:
15.00
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.
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 1gwrB-6dllA:
undetectable		 1gwrB-6dllA:
17.55