SIMILAR PATTERNS OF AMINO ACIDS FOR 5DXG_A_ESTA1000_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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 LEU A 314
GLU A 254
LEU A 521
ARG A 257
HIS A 514
 None
 1.41A 5dxgA-1dcqA:
0.0		 5dxgA-1dcqA:
22.67
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.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		5 LEU A 148
LEU A 179
LEU A  53
ARG A  63
HIS A 136
 None
 1.19A 5dxgA-1eg3A:
0.0		 5dxgA-1eg3A:
21.95
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 346
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.28A 5dxgA-1pcgA:
37.3		 5dxgA-1pcgA:
98.36
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) 		5 MET A 343
LEU A 346
LEU A 402
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
None
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 1.29A 5dxgA-1pcgA:
37.3		 5dxgA-1pcgA:
98.36
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 324
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.51A 5dxgA-1xb7A:
28.8		 5dxgA-1xb7A:
32.32
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 LEU A 268
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 (-4.1A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.64A 5dxgA-2gpvA:
27.6		 5dxgA-2gpvA:
36.40
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 346
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.43A 5dxgA-2ocfA:
37.5		 5dxgA-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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		5 LEU A 284
GLU A 440
LEU A 225
LEU A 226
ARG A 229
 None
 1.39A 5dxgA-3ckbA:
0.0		 5dxgA-3ckbA:
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.
3khe CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3

(Toxoplasma
gondii) 		PF13499
(EF-hand_7) 		5 LEU A  42
GLU A  38
LEU A 118
LEU A 119
ARG A 124
 None
 1.31A 5dxgA-3kheA:
0.0		 5dxgA-3kheA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kye ROADBLOCK/LC7
DOMAIN, ROBL_LC7

(Streptomyces
avermitilis) 		PF03259
(Robl_LC7) 		5 LEU A  16
MET A  17
LEU A  20
ARG A  23
LEU A 128
 None
 1.21A 5dxgA-3kyeA:
undetectable		 5dxgA-3kyeA:
22.90
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.
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11

(Homo sapiens) 		PF00621
(RhoGEF) 		5 MET A 796
LEU A 812
GLU A 902
LEU A 906
LEU A 742
 None
 1.50A 5dxgA-3kz1A:
undetectable		 5dxgA-3kz1A:
22.69
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.
3l2h PUTATIVE SUGAR
PHOSPHATE ISOMERASE

(Acidithiobacillus
ferrooxidans) 		PF07883
(Cupin_2) 		5 GLU A  12
LEU A   8
LEU A   7
ARG A   4
LEU A  49
 None
None
None
None
CXS  A 164 (-4.4A)
 1.49A 5dxgA-3l2hA:
undetectable		 5dxgA-3l2hA:
23.48
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		5 LEU A 389
GLU A 382
MET A 423
LEU A 426
ARG A 425
 None
 1.42A 5dxgA-4b3gA:
undetectable		 5dxgA-4b3gA:
17.58
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		5 MET A 133
LEU A 136
LEU A  83
LEU A  80
LEU A 144
 None
 1.35A 5dxgA-4p47A:
undetectable		 5dxgA-4p47A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.37A 5dxgA-4q5nA:
undetectable		 5dxgA-4q5nA:
21.94
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 LEU A 175
LEU A 157
MET A 158
ARG A 164
LEU A 149
 None
 1.42A 5dxgA-4s38A:
undetectable		 5dxgA-4s38A:
21.63
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 305
LEU A 296
LEU A 286
ARG A 272
LEU A 159
 None
None
None
None
VFV  A 580 (-4.5A)
 1.25A 5dxgA-4uhiA:
2.4		 5dxgA-4uhiA:
21.11
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 298
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.29A 5dxgA-5toaA:
31.8		 5dxgA-5toaA:
56.49
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 295
LEU A 298
LEU A 354
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
None
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 1.33A 5dxgA-5toaA:
31.8		 5dxgA-5toaA:
56.49