Receptor
PDB id Resolution Class Description Source Keywords
1D01 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WITH A HUMAN CD30 PEPTIDE HOMO SAPIENS B-SANDWICH PROTEIN-PEPTIDE COMPLEX APOPTOSIS
Ref.: THE STRUCTURAL BASIS FOR THE RECOGNITION OF DIVERSE RECEPTOR 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
902.013 n/a S(CCC...
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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 WITH A HUMAN CD30 PEPTIDE HOMO SAPIENS B-SANDWICH PROTEIN-PEPTIDE COMPLEX APOPTOSIS
Ref.: THE STRUCTURAL BASIS FOR THE RECOGNITION OF DIVERSE RECEPTOR 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 263 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 196 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 171 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
Ligand no: 1; Ligand: ACE MET LEU SER VAL GLU GLU GLU GLY; Similar ligands found: 10
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 0.597826 0.857143
3 ACE MET GLU GLU VAL PHE 0.543689 0.788462
4 ACE VAL LYS GLU SER LEU VAL 0.504854 0.86
5 ACE MET GLN SER TPO PRO LEU NH2 0.423077 0.676056
6 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.414634 0.75
7 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.414634 0.75
8 ACE ALN VAL LEU ALA GLU ALN NH2 0.403101 0.625
9 VAL GLN GLN GLU SER SER PHE VAL MET 0.401639 0.851852
10 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.401515 0.677419
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: 12
This union binding pocket(no: 1) in the query (biounit: 1d01.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P13 RIP 0.005234 0.43961 None
2 2WBV SIA 0.01573 0.42086 1.78571
3 2D3Y DU 0.009779 0.43825 2.97619
4 1I1E DM2 0.0205 0.4067 3.57143
5 2BVE PH5 0.02113 0.41633 4.20168
6 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.01836 0.41108 5
7 2B6N ALA PRO THR 0.008035 0.42331 5.95238
8 2RG0 CBI 0.01124 0.41552 5.95238
9 1JOC ITP 0.01958 0.41581 6.4
10 5LUB 3Y7 0.01527 0.41186 12.5
11 3G2Y GF4 0.01972 0.41066 14.881
12 3IVV ASP GLU VAL THR SER THR THR SER SER SER 0.00006525 0.53434 20
Pocket No.: 2; Query (leader) PDB : 1D01; Ligand: ACE MET LEU SER VAL GLU GLU GLU GLY; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 1d01.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DS0 A2G GAL NAG FUC 0.006806 0.42184 3.68098
2 2P3I MNA 0.01018 0.40197 7.45342
3 4U60 SIA GAL NGA 0.02321 0.40364 8.33333
Pocket No.: 3; Query (leader) PDB : 1D01; Ligand: ACE MET LEU SER VAL GLU GLU GLU GLY; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 1d01.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JCA CIT 0.03232 0.41124 1.1976
2 1YQS BSA 0.01466 0.40173 7.7381
3 3P7G MAN 0.02548 0.40245 8.90411
4 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.02186 0.40105 19.6721
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