Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EBU B:801;
A:802;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.097;
none;
Kd = 522 nM
845 C46 H56 N10 O6 [H]/N...
DMS A:801;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
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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: EBU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EBU 1 1
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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