Receptor
PDB id Resolution Class Description Source Keywords
3DRK 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LACTOCOCCAL OPPA CO-CRYSTALLIZED WITH NEUROPEPTIDE S 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
SER PHE ALA ASN GLY B:1;
Valid;
none;
submit data
479.514 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 510 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 391 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 298 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
Ligand no: 1; Ligand: SER PHE ALA ASN GLY; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 SER PHE ALA ASN GLY 1 1
2 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.626374 0.829787
3 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.55 0.829787
4 LEU SER PRO ASP SER PHE LEU ASN ASP 0.535714 0.808511
5 THR ASN GLU PHE ALA PHE 0.484536 0.75
6 SER LEU PHE ASN THR VAL ALA THR LEU 0.482143 0.836735
7 ARG GLN ALA ASN PHE LEU GLY LYS 0.47619 0.816327
8 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.475 0.773585
9 ALA THR ARG ASN PHE SER GLY 0.473214 0.814815
10 TYR LEU GLY ALA ASN GLY 0.470588 0.788462
11 SER LEU PHE ASN THR ILE ALA VAL LEU 0.470588 0.857143
12 LEU GLU PHE GLN GLY 0.47 0.74
13 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.467213 0.763636
14 GLY ASN TYR SER PHE TYR ALA LEU 0.462963 0.796296
15 SER LEU ARG PHE LEU TYR GLU GLY 0.453782 0.677419
16 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.451327 0.672727
17 VAL ALA PHE ARG SER 0.447619 0.703704
18 ARG ABA GLN ILE PHE ALA ASN ILE 0.444444 0.78
19 ARG ABA PHE ILE PHE ALA ASN ILE 0.444444 0.672414
20 SER GLU ILE GLU PHE ALA ARG LEU 0.434426 0.719298
21 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.433824 0.693548
22 ARG ABA VAL ILE PHE ALA ASN ILE 0.433333 0.684211
23 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.42623 0.698413
24 SER SER ILE GLU PHE ALA ARG LEU 0.424 0.736842
25 ALA SER ASN SER ILE ALA SER GLY 0.42 0.87234
26 ALA PHE THR SER 0.419355 0.826087
27 PHE SER ALA PTR VAL SER GLU GLU ASP 0.417391 0.65
28 SER HIS PHE ASN GLU TYR GLU 0.416 0.683333
29 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.415094 0.8
30 LYS ALA VAL PHE ASN PHE ALA THR MET 0.414634 0.724138
31 OIR 0.413793 0.612245
32 ALA PHE THR 0.413793 0.717391
33 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.411765 0.777778
34 PHE ALA GLN 0.411111 0.695652
35 ARG TYR GLY PHE VAL ALA ASN PHE 0.409449 0.672131
36 ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG 0.40708 0.610169
37 ALA GLN PHE SER ALA SER ALA SER ARG 0.40708 0.777778
38 PHE GLY GLY 0.405063 0.727273
39 PHE GLU ALA ASN GLY ASN LEU ILE 0.404959 0.803922
40 ALA VAL TYR ASN PHE ALA THR MET 0.404959 0.661017
41 ACE PHE ALA THR ALA NH2 0.404255 0.744681
42 ASP SER GLY PHE SER PHE GLY SER LYS 0.402174 0.869565
43 SER ILE ILE ASN PHE GLU LYS LEU 0.401639 0.826923
44 ASP ALA GLU PHE ARG HIS ASP 0.4 0.685185
45 THR ASN GLU PHE TYR ALA 0.4 0.735849
46 ALA ALA PHE 0.4 0.622222
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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