Receptor
PDB id Resolution Class Description Source Keywords
1D0A 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 (TRAF2) IN COM A HUMAN OX40 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 PRO ILE GLN GLU GLU G:261;
H:261;
I:261;
J:261;
K:261;
L:261;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
653.666 n/a O=C([...
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 PRO ILE GLN GLU GLU; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE PRO ILE GLN GLU GLU 1 1
2 ACE PRO VAL GLN GLU THR NH2 0.645161 0.85
3 ACE TYR PRO ILE GLN GLU THR 0.529915 0.83871
4 ACE PRO GLN GLN ALA THR ASP ASP 0.523364 0.836066
5 GLY PRO THR ILE GLU GLU VAL ASP 0.509259 0.836066
6 ALA VAL PRO ILE ALA GLN 0.504854 0.927273
7 ALA THR PRO PHE GLN GLU 0.486957 0.816667
8 LYS PRO SEP GLN GLU LEU 0.481481 0.772727
9 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.465517 0.866667
10 ACE ILE GLU PRO ASJ 0.461538 0.862069
11 ACE GLN GLU ARG GLU VAL PRO CYS 0.449153 0.809524
12 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.447761 0.896552
13 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.446281 0.809524
14 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.444444 0.776119
15 PRO GLN PTR GLU GLU ILE PRO ILE 0.431818 0.753623
16 PRO THR SER SER GLU GLN ILE 0.431193 0.725806
17 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.42029 0.75
18 PRO GLN PTR GLU PTR ILE PRO ALA 0.41791 0.732394
19 ACE GLU VAL ASN ALA PRO VAL LPD 0.412281 0.85
20 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.41129 0.822581
21 ILE PRO ILE 0.411111 0.888889
22 SER GLU CYS THR THR PRO CYS 0.408696 0.777778
23 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.407143 0.728571
24 THR PRO TYR ASP ILE ASN GLN MET LEU 0.404255 0.742857
25 BOC ALA ALA PRO GLU 0.403846 0.803279
26 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.402597 0.688312
27 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.401515 0.724638
28 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.4 0.753623
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE PRO ILE GLN GLU GLU; 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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