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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 286 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 = 522 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 209 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 = 522 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 174 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 = 522 nM EBU C46 H56 N10 O6 [H]/N=C(/N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET PHE SER ILE ASP ASN ILE LEU ALA; Similar ligands found: 93
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 SER ASP ILE LEU PHE PRO ALA ASP SER 0.517986 0.701493
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 LYS VAL ILE THR PHE ILE ASP LEU 0.485294 0.807018
12 ILE ASN PHE ASP PHE ASN THR ILE 0.483871 0.785714
13 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.48 0.637681
14 VAL ASN ASP ILE PHE GLU ALA ILE 0.477941 0.830189
15 LEU PRO PHE ASP LYS SER THR ILE MET 0.475 0.73913
16 ALA LEU LYS ILE ASP ASN MET ASP 0.470149 0.839286
17 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.469799 0.709677
18 SER ASP LYS ILE ASP ASN LEU ASP 0.469231 0.821429
19 SER LEU LYS ILE ASP ASN LEU ASP 0.465649 0.821429
20 GLU ASN LEU TYR PHE GLN 0.465649 0.728814
21 SER HIS LYS ILE ASP ASN LEU ASP 0.462069 0.761905
22 GLU LEU ASN ARG LYS MET ILE TYR MET 0.461538 0.757576
23 SER LEU PHE ASN THR VAL ALA THR LEU 0.459854 0.833333
24 THR PRO TYR ASP ILE ASN GLN MET LEU 0.458599 0.728571
25 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.455172 0.775862
26 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.454545 0.75
27 LYS ALA LEU TYR ASN PHE ALA THR MET 0.453333 0.836066
28 THR PHE ALY SER ILE MET LYS 0.452703 0.813559
29 ASP LEU LYS ILE ASP ASN LEU ASP 0.450382 0.767857
30 ARG ABA GLN ILE PHE ALA ASN ILE 0.45 0.781818
31 SER ALA LYS ILE ASP ASN LEU ASP 0.448529 0.821429
32 SER PRO ILE VAL PRO SER PHE ASP MET 0.448052 0.764706
33 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.44586 0.685714
34 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.44586 0.676923
35 SER LEU LYS ILE ASP ASN GLU ASP 0.445255 0.821429
36 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.444444 0.779661
37 LYS VAL LEU PHE LEU ASP GLY 0.443609 0.719298
38 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.442953 0.714286
39 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.442748 0.727273
40 ACE SER LEU ASN JG3 ILE VME 0.442177 0.705882
41 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.441558 0.646154
42 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.440789 0.753846
43 ALA THR LYS ILE ASP ASN LEU ASP 0.440298 0.789474
44 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.439189 0.827586
45 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 0.438849 0.661765
46 ALA ASP LYS ILE ASP ASN LEU ASP 0.438462 0.767857
47 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.4375 0.706897
48 ALA LEU LYS ILE ASP ASN LEU ASP 0.435115 0.767857
49 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.435065 0.712121
50 MET LEU ILE TYR SER MET TRP GLY LYS 0.434524 0.73913
51 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.434483 0.681159
52 ILE MET ASP GLN VAL PRO PHE SER VAL 0.433962 0.761194
53 ACE SER LEU ASN PHE 0.433333 0.833333
54 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.433121 0.709677
55 TYR SER THR CYS TYR PHE ILE MET 0.432624 0.844828
56 VAL VAL SER HIS PHE ASN ASP 0.431655 0.754098
57 ALA ILE PHE GLN SER SER MET THR LYS 0.431507 0.862069
58 LEU PRO PHE ASP LYS THR THR ILE MET 0.43125 0.724638
59 ARG ABA PHE ILE PHE ALA ASN ILE 0.429577 0.68254
60 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.427632 0.657143
61 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.426667 0.692308
62 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.426573 0.733333
63 SER LEU TYR ASN THR ILE ALA THR LEU 0.425532 0.857143
64 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.423841 0.786885
65 SER ARG LYS ILE ASP ASN LEU ASP 0.423611 0.730159
66 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.423611 0.75
67 LEU ASN PHE PRO ILE SER PRO 0.422535 0.720588
68 GLY ASN TYR SER PHE TYR ALA LEU 0.422222 0.766667
69 ARG ABA VAL ILE PHE ALA ASN ILE 0.42069 0.721311
70 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.420635 0.732143
71 SER GLN TYR TYR TYR ASN SER LEU 0.416667 0.827586
72 TYR ASP GLN ILE LEU 0.415385 0.75
73 LYS ALA VAL PHE ASN PHE ALA THR MET 0.414966 0.847458
74 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.414286 0.683333
75 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.41358 0.727273
76 SER SER ILE GLU PHE ALA ARG LEU 0.413333 0.770492
77 ARG ILE PHE SER 0.412214 0.672131
78 SER TRP PHE GLN THR ASP LEU 0.411765 0.758065
79 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.411348 0.716667
80 ALA THR ARG ASN PHE SER GLY 0.411348 0.698413
81 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.410853 0.727273
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 ALA VAL TYR ASN PHE ALA THR MET 0.406897 0.844828
85 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.406667 0.671429
86 THR LYS ASN TYR LYS GLN PHE SER VAL 0.405594 0.770492
87 GLU LEU LYS ARG LYS MET ILE TYR MET 0.403846 0.712121
88 ARG ARG LEU ILE PHE NH2 0.402985 0.639344
89 LYS ALA VAL TYR ASN PHE ALA THR MET 0.402597 0.836066
90 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.401316 0.754098
91 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.401198 0.757143
92 ILE THR ASP GLN VAL PRO PHE SER VAL 0.4 0.691176
93 ASP PHE GLU GLU ILE 0.4 0.722222
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: 10
This union binding pocket(no: 1) in the query (biounit: 5mwj.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2XXP DSL 3.2641
2 3NX2 FER 4.7619
3 2WDB NAG MAN 5.20833
4 4M1U A2G MBG 7.14286
5 5WUK 73K 9.49555
6 5U6D 7XG 9.79228
7 4J8B LEU LYS THR LYS LEU LEU 12.844
8 5TEF GTG 19.2878
9 2OVR SER LEU ILE PRO TPO PRO ASP LYS 25.816
10 5VFC 9BA 33.119
Pocket No.: 2; Query (leader) PDB : 5MWJ; Ligand: EBU; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 5mwj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZE9 PD7 2.07715
2 3VP6 HLD 2.37389
3 4PSB GA3 2.58065
4 3WN0 FUB 8.01187
5 1RP7 TZD 8.30861
6 3JUQ AJD 9.72973
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