Receptor
PDB id Resolution Class Description Source Keywords
3DRI 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LACTOCOCCAL OPPA CO-CRYSTALLIZED WITH A PEPTIDE IN AN OPEN 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 ALA SER ALA SER ALA B:1;
 Valid;
 none;
 submit data
461.496 n/a O=C(N...
View in 3D viewer
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 ALA SER ALA SER ALA; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA SER ALA SER ALA 1 1
2 ALA LEU SER ARG 0.955556 0.972973
3 ALA LEU SER ARG GLN 0.914894 0.972973
4 ALA ALA ALA ALA SER ALA ALA 0.679245 0.947368
5 ALA SER VAL SER ALA 0.596491 0.973684
6 ALA ALA ALA ALA 0.591837 0.648649
7 ALA ALA ALA ALA ALA 0.591837 0.648649
8 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.56 0.755102
9 VAL THR SER VAL VAL 0.55 0.923077
10 ALA LYS ALA SER GLN ALA ALA 0.540541 0.837209
11 ALA LYS ALA ALA 0.507937 0.714286
12 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.486111 0.837209
13 ALA GLU ALA ALA GLN ALA 0.485714 0.690476
14 ALA THR ILE MET MET GLN ARG GLY 0.432099 0.617021
15 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.428571 0.666667
16 ALA ALA LEU THR ARG ALA 0.428571 0.7
17 LYS ALA ALA ARG M3L SER ALA 0.423913 0.616667
18 ALA ALA ALA 0.423077 0.657895
19 ALA LYS ALA ILE ALA 0.421053 0.681818
20 ALA VAL ALA 0.418182 0.605263
21 ALA ALA ALA ALA ALA ALA ALA 0.415094 0.657895
22 ALA GLY ALA ALA 0.409836 0.707317
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ALA SER ALA SER ALA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ALA ALA ALA ALA ALA ALA 0.9590
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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