Receptor
PDB id Resolution Class Description Source Keywords
1D01 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WIT CD30 PEPTIDE HOMO SAPIENS B-SANDWICH PROTEIN-PEPTIDE COMPLEX APOPTOSIS
Ref.: THE STRUCTURAL BASIS FOR THE RECOGNITION OF DIVERSE SEQUENCES BY TRAF2. MOL.CELL V. 4 321 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE MET LEU SER VAL GLU GLU GLU GLY G:575;
H:575;
I:575;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
901.005 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D01 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WIT CD30 PEPTIDE HOMO SAPIENS B-SANDWICH PROTEIN-PEPTIDE COMPLEX APOPTOSIS
Ref.: THE STRUCTURAL BASIS FOR THE RECOGNITION OF DIVERSE SEQUENCES BY TRAF2. MOL.CELL V. 4 321 1999
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1CZY - ACE PRO GLN GLN ALA THR ASP ASP n/a n/a
2 1D01 - ACE MET LEU SER VAL GLU GLU GLU GLY n/a n/a
3 1D00 - ACE PRO VAL GLN GLU THR NH2 n/a n/a
4 1D0J - ACE GLY ALA ALA GLN GLU GLU n/a n/a
5 1D0A - ACE PRO ILE GLN GLU GLU n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1QSC Kd = 210 uM ACE TYR PRO ILE GLN GLU THR n/a n/a
2 1CA9 - GLY GLN VAL PRO PHE SER LYS GLU GLU CYS n/a n/a
3 1CZY - ACE PRO GLN GLN ALA THR ASP ASP n/a n/a
4 1D01 - ACE MET LEU SER VAL GLU GLU GLU GLY n/a n/a
5 1D00 - ACE PRO VAL GLN GLU THR NH2 n/a n/a
6 1D0J - ACE GLY ALA ALA GLN GLU GLU n/a n/a
7 1D0A - ACE PRO ILE GLN GLU GLU n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1QSC Kd = 210 uM ACE TYR PRO ILE GLN GLU THR n/a n/a
2 1CA9 - GLY GLN VAL PRO PHE SER LYS GLU GLU CYS n/a n/a
3 1CZY - ACE PRO GLN GLN ALA THR ASP ASP n/a n/a
4 1D01 - ACE MET LEU SER VAL GLU GLU GLU GLY n/a n/a
5 1D00 - ACE PRO VAL GLN GLU THR NH2 n/a n/a
6 1D0J - ACE GLY ALA ALA GLN GLU GLU n/a n/a
7 1D0A - ACE PRO ILE GLN GLU GLU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE MET LEU SER VAL GLU GLU GLU GLY; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE MET LEU SER VAL GLU GLU GLU GLY 1 1
2 ACE MET GLU GLU VAL ASP 0.579545 0.857143
3 ACE VAL LYS GLU SER LEU VAL 0.525253 0.843137
4 ACE MET GLU GLU VAL PHE 0.51 0.788462
5 GLY SER LYS MET GLU GLU VAL ASP 0.458716 0.90566
6 ACE GLN LEU VAL THR SER LEU 0.455446 0.807692
7 ASP THR GLU MET GLU GLU VAL ASP 0.454545 0.84
8 SER ARG MET GLU GLU VAL ASP 0.441441 0.884615
9 ALA SER ASN GLU ASN MET GLU THR MET 0.439252 0.833333
10 ACE ASP LEU GLN THR SER ILE 0.435185 0.792453
11 ALA SER ASN GLU ASN ALA GLU THR MET 0.424779 0.833333
12 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.424 0.677419
13 VAL GLN GLN GLU SER SER PHE VAL MET 0.423729 0.851852
14 ALA SER ASN GLU ASP MET GLU THR MET 0.423423 0.833333
15 GLU ALA THR GLN LEU MET ASN 0.421053 0.862745
16 ALA SER ASN GLU ASN ILE GLU THR MET 0.417391 0.818182
17 ACE ASP GLU VAL ASP 0QE 0.412371 0.711538
18 ACE ILE GLU SER THR GLU ILE 0.411765 0.788462
19 ACE ALN VAL LEU ALA GLU ALN NH2 0.409836 0.614035
20 LEU ALA SER LEU GLU SER GLN SER 0.409524 0.823529
21 SER LEU LYS LEU MET THR THR VAL 0.409091 0.867925
22 ACE ASP GLU VAL ASP ASP GLU VAL ASP 0.40625 0.686275
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE MET LEU SER VAL GLU GLU GLU GLY; 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 : 1D01; Ligand: ACE MET LEU SER VAL GLU GLU GLU GLY; 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: 1d01.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1D01; Ligand: ACE MET LEU SER VAL GLU GLU GLU GLY; 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: 1d01.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1D01; Ligand: ACE MET LEU SER VAL GLU GLU GLU GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1d01.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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