Receptor
PDB id Resolution Class Description Source Keywords
3DRF 1.3 Å NON-ENZYME: BINDING LACTOCOCCAL OPPA COMPLEXED WITH AN ENDOGENOUS PEPTIDE IN THE CONFORMATION LACTOCOCCUS LACTIS OLIGO-PEPTIDE BINDING VOLUMINOUS BINDING CAVITY VENUS FLY-PEPTIDE BINDING PROTEIN
Ref.: THE STRUCTURAL BASIS FOR PEPTIDE SELECTION BY THE T RECEPTOR OPPA EMBO J. V. 28 1332 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA SER ASN SER ILE ALA SER GLY B:1;
 Valid;
 none;
 submit data
690.732 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DRG 2.5 Å NON-ENZYME: BINDING LACTOCOCCAL OPPA COMPLEXED WITH BRADYKININ IN THE CLOSED CON LACTOCOCCUS LACTIS OLIGO-PEPTIDE BINDING VOLUMINOUS BINDING CAVITY VENUS FLY-PEPTIDE BINDING PROTEIN
Ref.: THE STRUCTURAL BASIS FOR PEPTIDE SELECTION BY THE T RECEPTOR OPPA EMBO J. V. 28 1332 2009
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3DRJ - ALA HIS ALA LYS ALA n/a n/a
2 3DRF - ALA SER ASN SER ILE ALA SER GLY n/a n/a
3 3DRG Kd = 0.1 uM ARG PRO PRO GLY PHE SER PRO PHE ALA n/a n/a
4 3DRK - SER PHE ALA ASN GLY n/a n/a
5 3RYB Kd = 4.2 uM SER LEU SER GLN SER LEU SER GLN SER n/a n/a
6 3DRI - ALA ALA SER ALA SER ALA n/a n/a
7 3DRH - ALA ALA ALA ALA ALA ALA 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 426 families.
1 3DRJ - ALA HIS ALA LYS ALA n/a n/a
2 3DRF - ALA SER ASN SER ILE ALA SER GLY n/a n/a
3 3DRG Kd = 0.1 uM ARG PRO PRO GLY PHE SER PRO PHE ALA n/a n/a
4 3DRK - SER PHE ALA ASN GLY n/a n/a
5 3RYB Kd = 4.2 uM SER LEU SER GLN SER LEU SER GLN SER n/a n/a
6 3DRI - ALA ALA SER ALA SER ALA n/a n/a
7 3DRH - ALA ALA ALA ALA ALA ALA 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 322 families.
1 3DRJ - ALA HIS ALA LYS ALA n/a n/a
2 3DRF - ALA SER ASN SER ILE ALA SER GLY n/a n/a
3 3DRG Kd = 0.1 uM ARG PRO PRO GLY PHE SER PRO PHE ALA n/a n/a
4 3DRK - SER PHE ALA ASN GLY n/a n/a
5 3RYB Kd = 4.2 uM SER LEU SER GLN SER LEU SER GLN SER n/a n/a
6 3DRI - ALA ALA SER ALA SER ALA n/a n/a
7 3DRH - ALA ALA ALA ALA ALA ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA SER ASN SER ILE ALA SER GLY; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA SER ASN SER ILE ALA SER GLY 1 1
2 ALA SER ASN GLU ASN ILE GLU THR MET 0.471698 0.792453
3 ALA SER ASN GLU ASN ALA GLU THR MET 0.45283 0.773585
4 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.435185 0.791667
5 ALA THR ARG ASN PHE SER GLY 0.434783 0.75
6 TYR ASP GLN ILE ILE ILE 0.428571 0.755556
7 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.423077 0.791667
8 SER PHE ALA ASN GLY 0.42 0.87234
9 VAL THR SER VAL VAL 0.416667 0.782609
10 ALA LEU SER ARG 0.407407 0.818182
11 THR LYS THR ALA THR ILE ASN ALA SER 0.405405 0.877551
12 SER ALA LYS ILE ASP ASN LEU ASP 0.405172 0.86
13 ALA SER ASN GLU ASN MET GLU THR MET 0.4 0.773585
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA SER ASN SER ILE ALA SER 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 : 3DRG; Ligand: ARG PRO PRO GLY PHE SER PRO PHE ALA; 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: 3drg.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
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