Receptor
PDB id Resolution Class Description Source Keywords
2CE8 2.03 Å NON-ENZYME: SIGNAL_HORMONE AN EH1 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 PHE SER ILE ASP ASN ILE LEU ALA X:1;
Y:1;
 Valid;
Valid;
 none;
none;
 submit data
1007.22 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 PHE SER ILE ASP ASN ILE LEU ALA; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 MET PHE SER ILE ASP ASN ILE LEU ALA 1 1
2 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.699187 0.888889
3 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.566176 0.821429
4 FME TYR PHE ILE ASN ILE LEU THR LEU 0.558824 0.87931
5 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.531469 0.698413
6 ASP PHE SER ILE 0.5 0.830189
7 SER LEU LYS ILE ASP ASN MET ASP 0.5 0.892857
8 SER ILE ILE ASN PHE GLU LYS LEU 0.49635 0.857143
9 SER LEU PHE ASN THR ILE ALA VAL LEU 0.492857 0.851852
10 GLU ILE ILE ASN PHE GLU LYS LEU 0.489051 0.77193
11 ILE MET ILE SER PHE 0.487805 0.886792
12 LYS VAL ILE THR PHE ILE ASP LEU 0.485294 0.807018
13 ILE ASN PHE ASP PHE ASN THR ILE 0.483871 0.785714
14 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.48 0.637681
15 VAL ASN ASP ILE PHE GLU ALA ILE 0.477941 0.830189
16 LEU PRO PHE ASP LYS SER THR ILE MET 0.475 0.73913
17 ALA LEU LYS ILE ASP ASN MET ASP 0.470149 0.839286
18 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.469799 0.709677
19 SER ASP LYS ILE ASP ASN LEU ASP 0.469231 0.821429
20 GLU ASN LEU TYR PHE GLN 0.465649 0.728814
21 SER LEU LYS ILE ASP ASN LEU ASP 0.465649 0.821429
22 SER HIS LYS ILE ASP ASN LEU ASP 0.462069 0.761905
23 GLU LEU ASN ARG LYS MET ILE TYR MET 0.461538 0.757576
24 SER LEU PHE ASN THR VAL ALA THR LEU 0.459854 0.833333
25 THR PRO TYR ASP ILE ASN GLN MET LEU 0.458599 0.728571
26 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.456522 0.839286
27 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.455172 0.775862
28 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.454545 0.75
29 THR PHE ALY SER ILE MET LYS 0.452703 0.813559
30 ASP LEU LYS ILE ASP ASN LEU ASP 0.450382 0.767857
31 ARG ABA GLN ILE PHE ALA ASN ILE 0.45 0.781818
32 SER ALA LYS ILE ASP ASN LEU ASP 0.448529 0.821429
33 SER PRO ILE VAL PRO SER PHE ASP MET 0.448052 0.764706
34 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.44586 0.685714
35 SER LEU LYS ILE ASP ASN GLU ASP 0.445255 0.821429
36 LYS VAL LEU PHE LEU ASP GLY 0.443609 0.719298
37 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.442953 0.714286
38 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.442748 0.727273
39 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.441558 0.646154
40 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.440789 0.753846
41 ALA THR LYS ILE ASP ASN LEU ASP 0.440298 0.789474
42 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.439189 0.827586
43 ALA ASP LYS ILE ASP ASN LEU ASP 0.438462 0.767857
44 ALA LEU LYS ILE ASP ASN LEU ASP 0.435115 0.767857
45 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.435065 0.712121
46 MET LEU ILE TYR SER MET TRP GLY LYS 0.434524 0.73913
47 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.434483 0.681159
48 ILE MET ASP GLN VAL PRO PHE SER VAL 0.433962 0.761194
49 ACE SER LEU ASN PHE 0.433333 0.833333
50 VAL VAL SER HIS PHE ASN ASP 0.431655 0.754098
51 ALA ILE PHE GLN SER SER MET THR LYS 0.431507 0.862069
52 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.431507 0.761905
53 LEU PRO PHE ASP LYS THR THR ILE MET 0.43125 0.724638
54 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.430464 0.816667
55 ARG ABA PHE ILE PHE ALA ASN ILE 0.429577 0.68254
56 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.427632 0.657143
57 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.426667 0.692308
58 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.426573 0.733333
59 SER LEU TYR ASN THR ILE ALA THR LEU 0.425532 0.857143
60 SER GLY ILE PHE LEU GLU THR SER 0.425373 0.87037
61 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.423841 0.786885
62 SER ARG LYS ILE ASP ASN LEU ASP 0.423611 0.730159
63 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.423611 0.75
64 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.422819 0.839286
65 LEU ASN PHE PRO ILE SER PRO 0.422535 0.720588
66 GLY ASN TYR SER PHE TYR ALA LEU 0.422222 0.766667
67 ARG ABA VAL ILE PHE ALA ASN ILE 0.42069 0.721311
68 LYS LEU PHE SER PHE GLY GLY 0.418605 0.758621
69 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.417323 0.732143
70 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.417219 0.730159
71 SER GLN TYR TYR TYR ASN SER LEU 0.416667 0.827586
72 TYR ASP GLN ILE LEU 0.415385 0.75
73 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.415385 0.689655
74 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.41358 0.727273
75 SER SER ILE GLU PHE ALA ARG LEU 0.413333 0.770492
76 ARG ILE PHE SER 0.412214 0.672131
77 SER ILE ILE GLN PHE GLU HIS LEU 0.412162 0.774194
78 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.411348 0.716667
79 ALA THR ARG ASN PHE SER GLY 0.411348 0.698413
80 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.410853 0.727273
81 ACE SER LEU ASN JG3 ILE VME 0.410596 0.724638
82 GLY ASN PHE LEU GLN SER ARG 0.409722 0.758065
83 LEU PRO PHE ASP ARG THR THR ILE MET 0.409639 0.666667
84 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.408163 0.725806
85 PHE GLU ASP LEU ARG VAL SER SER PHE 0.407895 0.730159
86 HIS LEU TYR PHE SER SEP ASN 0.407895 0.643836
87 ALA VAL TYR ASN PHE ALA THR MET 0.406897 0.844828
88 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.406897 0.730159
89 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.406667 0.671429
90 TYR SER THR CYS TYR PHE ILE MET 0.405594 0.827586
91 LYS ALA VAL PHE ASN PHE ALA THR MET 0.404255 0.821429
92 GLU LEU LYS ARG LYS MET ILE TYR MET 0.403846 0.712121
93 ARG ARG LEU ILE PHE NH2 0.402985 0.639344
94 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.401316 0.754098
95 LYS VAL LEU SER LYS ILE PHE MYR 0.401274 0.79661
96 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.401198 0.757143
97 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.4 0.666667
98 ASP PHE GLU GLU ILE 0.4 0.722222
99 ILE THR ASP GLN VAL PRO PHE SER VAL 0.4 0.691176
Similar Ligands (3D)
Ligand no: 1; Ligand: MET PHE SER ILE ASP ASN ILE LEU ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
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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