Receptor
PDB id Resolution Class Description Source Keywords
1D00 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WIT RESIDUE CD40 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 VAL GLN GLU THR NH2 I:249;
J:249;
K:249;
L:249;
M:249;
N:249;
O:249;
P:249;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
613.669 n/a O=C([...
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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 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 286 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 209 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 174 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 PRO VAL GLN GLU THR NH2; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE PRO VAL GLN GLU THR NH2 1 1
2 ACE PRO ILE GLN GLU GLU 0.645161 0.85
3 ACE PRO GLN GLN ALA THR ASP ASP 0.570093 0.949153
4 GLY PRO THR ILE GLU GLU VAL ASP 0.5 0.916667
5 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.474576 0.868852
6 ACE GLU VAL ASN PRO 0.470588 0.913793
7 ACE TYR PRO ILE GLN GLU THR 0.460317 0.828125
8 PRO THR VAL GLU GLU VAL ASP 0.457143 0.830508
9 ACE GLN GLU ARG GLU VAL PRO CYS 0.454545 0.772727
10 PRO THR SER SER GLU GLN ILE 0.45045 0.774194
11 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.446281 0.916667
12 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.435484 0.932203
13 ARG GLU ASP GLN GLU THR ALA VAL 0.435185 0.689655
14 LYS PRO SEP GLN GLU LEU 0.434783 0.791045
15 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.433071 0.916667
16 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.432624 0.823529
17 LEU PRO GLU THR GLY 0.431193 0.932203
18 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.428571 0.857143
19 ACE PRO ASP PTR GLU ASN LEU 0.428571 0.763889
20 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.427481 0.794118
21 SER GLU CYS THR THR PRO CYS 0.42735 0.885246
22 ILE THR ASP GLN VAL PRO PHE SER VAL 0.42446 0.859375
23 GLN MET PRO THR GLU ASP GLU TYR 0.423358 0.808824
24 THR PRO GLN ASP LEU ASN THR MET LEU 0.423077 0.875
25 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.419118 0.767123
26 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.41791 0.791045
27 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.417266 0.859375
28 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.413534 0.793651
29 ARG ARG ARG GLU THR GLN VAL 0.412844 0.636364
30 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.408759 0.736111
31 PRO GLN PTR GLU GLU ILE PRO ILE 0.405797 0.675676
32 ARG ARG ARG GLU ARG SER PRO THR ARG 0.40458 0.791045
33 GLU VAL PTR GLU SER PRO 0.401575 0.75
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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