Receptor
PDB id Resolution Class Description Source Keywords
2ce9 2.12 Å NON-ENZYME: SIGNAL_HORMONE A WRPW PEPTIDE BOUND TO THE GROUCHO-TLE WD40 DOMAIN. HOMO SAPIENS TRANSCRIPTIONAL CO-REPRESSOR WD40 DOMAIN WNT SIGNALING PATNUCLEAR PROTEIN PHOSPHORYLATION REPRESSOR TRANSCRIPTIONTRANSCRIPTION REGULATION WD REPEAT
Ref.: MOLECULAR RECOGNITION OF TRANSCRIPTIONAL REPRESSOR THE WD DOMAIN OF THE GROUCHO/TLE COREPRESSOR. MOL.CELL V. 22 645 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET TRP ARG PRO TRP X:2;
Y:2;
 Valid;
Valid;
 none;
none;
 submit data
760.965 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MWJ 2.04 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE ENABLED DISCOVERY OF A STAPLED PEPTIDE INHIBITOR T THE ONCOGENIC TRANSCRIPTIONAL REPRESSOR TLE1 HOMO SAPIENS TRANSDUCIN-LIKE; CONSTRAINED PEPTIDE INHIBITOR; TRANSCRIPTIOCOREPRESSOR TRANSCRIPTION
Ref.: STRUCTURE-ENABLED DISCOVERY OF A STAPLED PEPTIDE IN TO TARGET THE ONCOGENIC TRANSCRIPTIONAL REPRESSOR T CHEMISTRY V. 23 9577 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 2CE8 - MET PHE SER ILE ASP ASN ILE LEU ALA n/a n/a
2 2CE9 - MET TRP ARG PRO TRP n/a n/a
3 5MWJ Kd = 24.7 nM EBU C46 H56 N10 O6 [H]/N=C(/N....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2CE8 - MET PHE SER ILE ASP ASN ILE LEU ALA n/a n/a
2 2CE9 - MET TRP ARG PRO TRP n/a n/a
3 5MWJ Kd = 24.7 nM EBU C46 H56 N10 O6 [H]/N=C(/N....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 2CE8 - MET PHE SER ILE ASP ASN ILE LEU ALA n/a n/a
2 2CE9 - MET TRP ARG PRO TRP n/a n/a
3 5MWJ Kd = 24.7 nM EBU C46 H56 N10 O6 [H]/N=C(/N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MET TRP ARG PRO TRP; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 MET TRP ARG PRO TRP 1 1
2 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.620482 0.842105
3 MET TYR TRP TYR PRO TYR 0.583333 0.816901
4 ASN GLN DPR TRP GLN 0.561151 0.73913
5 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.544379 0.847222
6 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.538462 0.869565
7 ACE TRP ARG VAL PRO 0.521127 0.842857
8 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.519337 0.805195
9 ARG PHE PRO LEU THR PHE GLY TRP 0.508876 0.813333
10 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.505814 0.869565
11 ILE SER PRO ARG THR LEU ASP ALA TRP 0.505747 0.769231
12 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.5 0.802817
13 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.497207 0.815789
14 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.494253 0.810811
15 ARG TYR PRO LEU THR PHE GLY TRP 0.488636 0.792208
16 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.482517 0.73913
17 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.481081 0.794872
18 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.480226 0.819444
19 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.476744 0.810811
20 SER TRP PHE PRO 0.471429 0.736111
21 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.46988 0.769231
22 MET HIS PRO ALA GLN THR SER GLN TRP 0.468571 0.766234
23 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.468208 0.871429
24 ARG LEU TRP SER 0.464286 0.708333
25 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.463687 0.697368
26 GLY SER ASP PRO TRP LYS 0.463576 0.702703
27 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.460674 0.776316
28 LYS ARG ARG ARG HIS PRO SER 0.460526 0.774648
29 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.455556 0.782051
30 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.454545 0.792208
31 TRP PRO TRP 0.454545 0.761194
32 MDL 0.453901 0.746479
33 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.453333 0.746479
34 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.453039 0.776316
35 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.447514 0.772152
36 GLY MET PRO ARG GLY ALA 0.444444 0.852941
37 PHE SER ASP PRO TRP GLY GLY 0.440994 0.716216
38 ALA VAL PRO TRP 0.438849 0.753623
39 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.437909 0.693333
40 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.437838 0.731707
41 SER SER TYR ARG ARG PRO VAL GLY ILE 0.436364 0.721519
42 PHE ASN ARG PRO VAL 0.436242 0.739726
43 ASN ASP TRP LEU LEU PRO SER TYR 0.436047 0.6875
44 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.433862 0.847222
45 ALA PRO ALA TRP LEU PHE GLU ALA 0.433735 0.760563
46 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.431507 0.68
47 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.43038 0.760563
48 LYS ARG ARG ARG HIS PRO SER GLY 0.43038 0.743243
49 PHE PRO ARG 0.42963 0.8
50 MET CYS PRO ARG MET THR ALA VAL MET 0.429448 0.773333
51 LEU ASP PRO ARG 0.428571 0.746479
52 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.428571 0.816901
53 HIS HIS ALA SER PRO ARG LYS 0.426829 0.802817
54 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.426316 0.743902
55 GLY HIS ARG PRO 0.425532 0.797101
56 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.425287 0.794521
57 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.425 0.830986
58 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.424419 0.746479
59 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.424051 0.766234
60 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.422857 0.794521
61 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.42236 0.830986
62 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.421053 0.785714
63 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.420382 0.771429
64 GLY PHE ARG PRO 0.42029 0.779412
65 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.420118 0.75
66 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.419753 0.75
67 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.419689 0.743902
68 SER PRO LEU ASP SER LEU TRP TRP ILE 0.418182 0.714286
69 VAL PRO LEU ARG PRO MET THR TYR 0.416667 0.792208
70 ARG PRO PRO LYS PRO ARG PRO ARG 0.414966 0.787879
71 PRO SER ARG TRP 0.414966 0.722222
72 ARG SEP PRO VAL PHE SER 0.414634 0.683544
73 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.413793 0.757143
74 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.412429 0.797468
75 ALA TRP VAL ILE PRO ALA 0.408163 0.768116
76 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.407821 0.76
77 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.404762 0.74026
78 SER ARG ASP HIS SER ARG THR PRO MET 0.403409 0.792208
79 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.403226 0.782051
80 ARG LEU TYR HIS SEP LEU PRO ALA 0.40113 0.710843
Similar Ligands (3D)
Ligand no: 1; Ligand: MET TRP ARG PRO TRP; Similar ligands found: 1
No: Ligand Similarity coefficient
1 EBU 0.8559
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MWJ; Ligand: EBU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5mwj.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5MWJ; Ligand: EBU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5mwj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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