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 263 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 196 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 171 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: 117
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 0.619048 0.87037
3 FME TYR PHE ILE ASN ILE LEU THR LEU 0.586466 0.87931
4 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.583333 0.803571
5 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.553191 0.698413
6 SER ILE ILE ASN PHE GLU LYS LEU 0.534351 0.857143
7 SER ASP ILE LEU PHE PRO ALA ASP SER 0.532847 0.686567
8 SER LEU PHE ASN THR ILE ALA VAL LEU 0.530303 0.87037
9 SER LEU LYS ILE ASP ASN MET ASP 0.519084 0.892857
10 GLU ILE ILE ASN PHE GLU LYS LEU 0.511278 0.754386
11 LYS VAL ILE THR PHE ILE ASP LEU 0.507576 0.77193
12 LEU PRO PHE ASP LYS SER THR ILE MET 0.5 0.724638
13 ASP PHE SER ILE 0.5 0.811321
14 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.5 0.637681
15 ALA LEU LYS ILE ASP ASN MET ASP 0.492308 0.821429
16 ILE ASN PHE ASP PHE ASN THR ILE 0.491935 0.785714
17 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.489796 0.693548
18 SER ASP LYS ILE ASP ASN LEU ASP 0.488189 0.821429
19 LYS ALA LEU TYR ASN PHE ALA THR MET 0.486111 0.819672
20 SER LEU LYS ILE ASP ASN LEU ASP 0.484375 0.821429
21 VAL ASN ASP ILE PHE GLU ALA ILE 0.481481 0.830189
22 SER LEU PHE ASN THR VAL ALA THR LEU 0.481203 0.833333
23 GLU LEU ASN ARG LYS MET ILE TYR MET 0.48 0.757576
24 SER HIS LYS ILE ASP ASN LEU ASP 0.478873 0.761905
25 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.478873 0.75
26 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.478873 0.775862
27 GLU ASN LEU TYR PHE GLN 0.476562 0.728814
28 SER LEU TYR ASN THR ILE ALA THR LEU 0.466667 0.857143
29 SER ALA LYS ILE ASP ASN LEU ASP 0.466165 0.821429
30 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.465753 0.816667
31 GLY ASN TYR SER PHE TYR ALA LEU 0.465649 0.766667
32 LYS VAL LEU PHE LEU ASP GLY 0.465116 0.701754
33 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.464516 0.676923
34 TYR SER THR CYS TYR PHE ILE MET 0.463768 0.827586
35 SER LEU LYS ILE ASP ASN GLU ASP 0.462687 0.821429
36 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.462069 0.827586
37 THR PRO TYR ASP ILE ASN GLN MET LEU 0.462025 0.728571
38 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.461538 0.685714
39 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.460993 0.762712
40 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.459016 0.735849
41 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.457364 0.727273
42 ASP LEU LYS ILE ASP ASN LEU ASP 0.457364 0.75
43 ALA LEU LYS ILE ASP ASN LEU ASP 0.456693 0.75
44 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.455172 0.714286
45 LEU PRO PHE ASP LYS THR THR ILE MET 0.455128 0.695652
46 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.452703 0.738462
47 MET LEU ILE TYR SER MET TRP GLY LYS 0.450617 0.724638
48 ARG ABA PHE ILE PHE ALA ASN ILE 0.449275 0.68254
49 ALA ASP LYS ILE ASP ASN LEU ASP 0.448819 0.75
50 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.447552 0.681159
51 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.446809 0.75
52 SER ARG LYS ILE ASP ASN LEU ASP 0.446043 0.730159
53 GLY ASN PHE LEU GLN SER ARG 0.446043 0.758065
54 SER GLN TYR TYR TYR ASN SER LEU 0.445312 0.827586
55 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.445205 0.692308
56 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.444444 0.709677
57 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.444444 0.706897
58 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.443709 0.646154
59 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.443662 0.733333
60 ARG ABA GLN ILE PHE ALA ASN ILE 0.442857 0.781818
61 SER SER ILE GLU PHE ALA ARG LEU 0.441379 0.770492
62 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.43949 0.727273
63 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 0.438849 0.647059
64 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.437956 0.666667
65 THR LYS ASN TYR LYS GLN PHE SER VAL 0.437956 0.770492
66 ALA ILE PHE GLN SER SER MET THR LYS 0.4375 0.862069
67 ALA THR LYS ILE ASP ASN LEU ASP 0.43609 0.77193
68 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.43609 0.75
69 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.435714 0.716667
70 VAL VAL SER HIS PHE ASN ASP 0.434783 0.754098
71 ARG ILE PHE SER 0.434109 0.672131
72 LYS ALA VAL PHE ASN PHE ALA THR MET 0.433566 0.830508
73 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.433333 0.786885
74 LYS ALA VAL TYR ASN PHE ALA THR MET 0.432432 0.819672
75 LEU PRO PHE ASP ARG THR THR ILE MET 0.432099 0.666667
76 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.432 0.714286
77 TYR ASP GLN ILE LEU 0.430769 0.75
78 LEU ASN PHE PRO ILE SER PRO 0.429577 0.720588
79 ARG ABA VAL ILE PHE ALA ASN ILE 0.429577 0.721311
80 ILE MET ASP GLN VAL PRO PHE SER VAL 0.427673 0.761194
81 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.427586 0.657143
82 PHE LEU SER TYR LYS 0.427481 0.721311
83 ALA VAL TYR ASN PHE ALA THR MET 0.426573 0.844828
84 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.425197 0.727273
85 ALA THR ARG ASN PHE SER GLY 0.42446 0.698413
86 ARG ARG LEU ILE PHE NH2 0.424242 0.639344
87 LYS ALA VAL TYR ASN LEU ALA THR MET 0.422819 0.847458
88 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.421429 0.754386
89 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.421053 0.666667
90 ALA ARG LYS ILE ASP ASN LEU ASP 0.42029 0.68254
91 GLU LEU LYS ARG LYS MET ILE TYR MET 0.42 0.712121
92 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.418919 0.703125
93 ASP PHE GLU ASP TYR GLU PHE ASP 0.418605 0.627119
94 SER LEU TYR ASN THR VAL ALA THR LEU 0.417266 0.821429
95 THR TYR PHE ALA VAL LEU MET VAL SER 0.416107 0.810345
96 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.414634 0.630137
97 SER LEU TYR ASN VAL VAL ALA THR LEU 0.414286 0.821429
98 ACE SER LEU ASN PHE 0.41129 0.833333
99 SER GLU ILE GLU PHE ALA ARG LEU 0.410959 0.754098
100 GLY LEU MET TRP LEU SER TYR PHE VAL 0.410256 0.742424
101 GLU GLN TYR LYS PHE TYR SER VAL 0.410072 0.725806
102 SER ILE ILE GLY PHE GLU LYS LEU 0.409722 0.789474
103 THR ASN LEU TYR MET LEU 0.408759 0.875
104 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.40625 0.676471
105 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.406061 0.613333
106 VAL GLN GLN GLU SER SER PHE VAL MET 0.405797 0.925926
107 PHE ASN PHE PRO GLN ILE THR 0.405405 0.642857
108 GLU THR VAL ARG PHE GLN SER ASP 0.403974 0.725806
109 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.403974 0.647059
110 LYS MET ASN THR GLN PHE THR ALA VAL 0.402685 0.844828
111 ILE THR ASP GLN VAL PRO PHE SER VAL 0.402516 0.691176
112 ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG 0.40146 0.625
113 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.401408 0.77193
114 PHE GLU ASP ASN PHE VAL PRO 0.401408 0.637681
115 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.4 0.767857
116 ALA SER ASN GLU ASN ILE GLU THR MET 0.4 0.890909
117 ASP PHE GLU GLU ILE 0.4 0.703704
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MWJ; Ligand: EBU; Similar sites found: 7
This union binding pocket(no: 1) in the query (biounit: 5mwj.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NX2 FER 0.01235 0.41046 4.7619
2 2WDB NAG MAN 0.001302 0.46117 5.20833
3 5WUK 73K 0.0001029 0.50676 9.49555
4 5U6D 7XG 0.00017 0.44531 9.79228
5 4J8B LEU LYS THR LYS LEU LEU 0.000005339 0.56068 12.844
6 5TEF GTG 0.0004891 0.42974 19.2878
7 2OVR SER LEU ILE PRO TPO PRO ASP LYS 0.00157 0.45595 25.816
Pocket No.: 2; Query (leader) PDB : 5MWJ; Ligand: EBU; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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