Receptor
PDB id Resolution Class Description Source Keywords
3RYB 1.5 Å NON-ENZYME: BINDING LACTOCOCCAL OPPA COMPLEXED WITH SLSQSLSQS LACTOCOCCUS LACTIS SUBSTRATE-BINDING PROTEIN PEPTIDE BINDING MEMBRANE ANCHOREPEPTIDE BINDING PROTEIN
Ref.: IMPORTANCE OF A HYDROPHOBIC POCKET FOR PEPTIDE BIND LACTOCOCCAL OPPA. J.BACTERIOL. V. 193 4254 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER LEU SER GLN SER LEU SER GLN SER B:1;
 Valid;
 none;
 Kd = 4.2 uM
920.996 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: SER LEU SER GLN SER LEU SER GLN SER; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 SER LEU SER GLN SER LEU SER GLN SER 1 1
2 SER SER SER SER 0.569231 0.813953
3 LEU ALA SER LEU GLU SER GLN SER 0.546512 0.977273
4 ASN LEU LEU GLN LYS LYS 0.546512 0.808511
5 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.530612 0.895833
6 SER LEU LEU LYS LYS LEU LEU ASP 0.53012 0.914894
7 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.5125 0.891304
8 SER GLN TYR TYR TYR ASN SER LEU 0.464646 0.777778
9 ALA LYS ALA SER GLN ALA ALA 0.450549 0.888889
10 TYR GLN SER LYS LEU 0.44898 0.792453
11 GLN LEU ALA 0.447368 0.767442
12 SER LEU LYS ILE ASP ASN GLU ASP 0.444444 0.877551
13 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.436975 0.796296
14 ACE GLN LEU VAL THR SER LEU 0.434783 0.913043
15 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.434783 0.745098
16 ASN SER THR LEU GLN 0.428571 0.891304
17 SER LEU LYS ILE ASP ASN LEU ASP 0.428571 0.877551
18 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.425926 0.86
19 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.423423 0.745455
20 ILE GLU GLU ALA LEU GLN ILE ILE HIS SER 0.420168 0.714286
21 SER SER GLY THR PRO THR 0.415385 0.790698
22 ACE ASP LEU GLN THR SER ILE 0.414141 0.893617
23 LYS LEU VAL GLN LEU LEU THR THR THR 0.414141 0.893617
24 SER ASP LYS ILE ASP ASN LEU ASP 0.40566 0.877551
25 SER LEU LEU LYS LYS LEU LEU LEU ALA PRO 0.40404 0.694915
Similar Ligands (3D)
Ligand no: 1; Ligand: SER LEU SER GLN SER LEU SER GLN SER; 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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