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 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 TRP ARG PRO TRP; Similar ligands found: 98
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 0.641026 0.842105
3 MET TYR TRP TYR PRO TYR 0.594203 0.802817
4 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.577181 0.869565
5 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.571429 0.847222
6 ACE TRP ARG VAL PRO 0.536232 0.842857
7 GLU PRO GLN ALA PRO TRP MET GLU 0.532895 0.802817
8 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.519774 0.805195
9 THR LEU PRO TRP ASP LEU TRP THR THR 0.516779 0.697368
10 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.515152 0.810811
11 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.513514 0.8
12 ARG PHE PRO LEU THR PHE GLY TRP 0.509091 0.813333
13 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.508982 0.869565
14 GLY SER ASP PRO TRP LYS 0.507042 0.689189
15 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.497143 0.815789
16 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.496774 0.802817
17 TRP PRO TRP 0.496 0.746269
18 ILE SER PRO ARG THR LEU ASP ALA TRP 0.491329 0.769231
19 ARG TYR PRO LEU THR PHE GLY TRP 0.491228 0.792208
20 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.490909 0.871429
21 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.490798 0.792208
22 LYS ARG ARG ARG HIS PRO SER 0.482759 0.774648
23 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.482558 0.819444
24 ARG ARG ARG ARG SER TRP TYR 0.482269 0.68
25 ARG LEU TRP SER 0.481203 0.708333
26 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.480663 0.794872
27 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.479532 0.693333
28 SER TRP PHE PRO 0.477941 0.722222
29 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.47619 0.810811
30 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.473373 0.776316
31 MET HIS PRO ALA GLN THR SER GLN TRP 0.470588 0.766234
32 MDL 0.467153 0.746479
33 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.462428 0.736111
34 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.460227 0.763158
35 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.459459 0.757143
36 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.458333 0.746479
37 ALA VAL PRO TRP 0.455224 0.724638
38 PHE SER ASP PRO TRP GLY GLY 0.455128 0.702703
39 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.454545 0.830986
40 ALA PRO ALA TRP LEU PHE GLU ALA 0.453416 0.746479
41 PHE PRO ARG 0.453125 0.8
42 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.452514 0.792208
43 PHE ASN ARG PRO VAL 0.450704 0.739726
44 ARG PRO PRO LYS PRO ARG PRO ARG 0.45 0.787879
45 SER PRO LEU ASP SER LEU TRP TRP ILE 0.449367 0.701299
46 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.445946 0.760563
47 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.44375 0.72
48 LYS ARG ARG ARG HIS PRO SER GLY 0.443709 0.743243
49 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.442857 0.68
50 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.442177 0.693333
51 PRO GLN PRO VAL ASP SER TRP VAL 0.439759 0.697368
52 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.439759 0.746479
53 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.438889 0.731707
54 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.438272 0.736111
55 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.436364 0.771429
56 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.435897 0.830986
57 SER SER TYR ARG ARG PRO VAL GLY ILE 0.435583 0.721519
58 ASN ASP TRP LEU LEU PRO SER TYR 0.434524 0.6875
59 HIS HIS ALA SER PRO ARG LYS 0.433962 0.802817
60 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.433526 0.72973
61 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.432432 0.847222
62 DPN PRO ARG 0.430769 0.776119
63 DPN PRO DAR CYS NH2 0.430657 0.830769
64 GLY HIS ARG PRO 0.430657 0.797101
65 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.43038 0.766234
66 MAA LYS PRO PHE 0.42963 0.712121
67 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.429379 0.782051
68 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.427027 0.743902
69 ARG PRO LYS PRO LEU VAL ASP PRO 0.425532 0.808824
70 GLY PHE ARG PRO 0.425373 0.779412
71 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.421348 0.851351
72 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.421053 0.797468
73 VAL PRO LEU ARG PRO MET THR TYR 0.420732 0.792208
74 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.420213 0.743902
75 SER ARG ASP HIS SER ARG THR PRO MET 0.420118 0.792208
76 LEU ASP PRO ARG 0.419118 0.732394
77 ARG SEP PRO VAL PHE SER 0.41875 0.683544
78 LYS TRP LYS 0.416 0.641791
79 DPN PRO DAR ILE NH2 0.411348 0.820895
80 DPN PRO DAR DTH NH2 0.411348 0.771429
81 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.410405 0.76
82 ARG LEU TYR HIS SEP LEU PRO ALA 0.409357 0.710843
83 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.408284 0.771429
84 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.40625 0.77027
85 THR LYS PRO ARG 0.40625 0.761194
86 ARG PRO MET THR PHE LYS GLY ALA LEU 0.405714 0.789474
87 ALA PRO ASP THR ARG PRO ALA PRO 0.405405 0.710526
88 VAL MET ALA PRO ARG THR LEU PHE LEU 0.404762 0.8
89 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.402516 0.684211
90 01W ARG TRP THR DAB MET LEU GLY 0.402299 0.697674
91 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.402299 0.75
92 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.402299 0.705128
93 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.401408 0.757143
94 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.401361 0.623377
95 MET ASP TRP ASN MET HIS ALA ALA 0.401274 0.671233
96 SER HIS PRO ARG PRO ILE ARG VAL 0.401235 0.74026
97 TRP GLU TYR ILE PRO ASN VAL 0.4 0.692308
98 GLY HIS ARG PRO NH2 0.4 0.820895
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
Feedback