Receptor
PDB id Resolution Class Description Source Keywords
1CZY 2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE TRAF DOMAIN OF TRAF2 AND AN LMP1 BINDING PEPTIDE HOMO SAPIENS BETA SANDWICH PROTEIN-PEPTIDE COMPLEX SIGNALING PROTEIN A
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 GLN GLN ALA THR ASP ASP D:203;
E:204;
 Valid;
Valid;
 none;
none;
 submit data
812.767 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 GLN GLN ALA THR ASP ASP; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE PRO GLN GLN ALA THR ASP ASP 1 1
2 ACE PRO VAL GLN GLU THR NH2 0.570093 0.949153
3 THR PRO GLN ASP LEU ASN THR MET LEU 0.535433 0.890625
4 ACE PRO ILE GLN GLU GLU 0.523364 0.836066
5 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.516129 0.916667
6 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.511811 0.901639
7 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.504065 0.870968
8 ACE PRO TRP ALA THR CYS ASP SER NH2 0.492754 0.865672
9 ILE THR ASP GLN VAL PRO PHE SER VAL 0.485714 0.846154
10 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.480315 0.95
11 ARG GLU ASP GLN GLU THR ALA VAL 0.473214 0.677966
12 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.458333 0.823529
13 ALA THR PRO PHE GLN GLU 0.453125 0.883333
14 GLY THR SER SER PRO SER ALA ASP 0.438017 0.9
15 ASN ASP THR SER GLN THR SER SER PRO SER OPE 0.4375 0.811594
16 GLU PRO VAL GLU THR THR ASP TYR 0.42963 0.888889
17 THR PRO TYR ASP ILE ASN GLN MET LEU 0.42953 0.826087
18 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.428571 0.873016
19 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.428571 0.875
20 ASN LEU VAL PRO MET VAL ALA THR VAL 0.426471 0.875
21 PHE ASN PHE PRO GLN ILE THR 0.426471 0.846154
22 ACE CYS HIS PRO GLN ASN THR NH2 0.425373 0.861538
23 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.421769 0.78125
24 PHE PRO THR LYS ASP VAL ALA LEU 0.42069 0.859375
25 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.41958 0.780822
26 ASN LEU VAL PRO THR VAL ALA THR VAL 0.418605 0.901639
27 ASN LEU VAL PRO SER VAL ALA THR VAL 0.416667 0.873016
28 SER GLU CYS THR THR PRO CYS 0.416 0.901639
29 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.415385 0.901639
30 GLN MET PRO THR GLU ASP GLU TYR 0.413793 0.850746
31 LEU PRO SER PHE GLU THR ALA LEU 0.411348 0.859375
32 ACE ASP LEU GLN THR SER ILE 0.40678 0.650794
33 GLU ALA THR GLN LEU MET ASN 0.406504 0.650794
34 ALA VAL PRO ILE ALA GLN 0.404959 0.803279
35 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.404255 0.722222
36 ILE MET ASP GLN VAL PRO PHE SER VAL 0.403974 0.808824
37 LEU PRO PHE GLU ARG ALA THR VAL MET 0.402516 0.753425
38 LYS PRO SEP GLN GLU LEU 0.4 0.779412
39 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.4 0.823529
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE PRO GLN GLN ALA THR ASP ASP; 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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