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...
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 PHE ALA ASN GLY; Similar ligands found: 51
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 LYS LEU PHE SER PHE GLY GLY 0.49 0.823529
5 SER LEU PHE ASN THR VAL ALA THR LEU 0.482143 0.836735
6 ARG GLN ALA ASN PHE LEU GLY LYS 0.47619 0.816327
7 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.475 0.773585
8 ALA THR ARG ASN PHE SER GLY 0.473214 0.814815
9 TYR LEU GLY ALA ASN GLY 0.470588 0.788462
10 SER LEU PHE ASN THR ILE ALA VAL LEU 0.470588 0.857143
11 LEU GLU PHE GLN GLY 0.47 0.74
12 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.467213 0.763636
13 ORT PHE 66N 0.465909 0.64
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 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.452174 0.773585
17 VAL ALA PHE ARG SER 0.447619 0.703704
18 ARG ABA PHE ILE PHE ALA ASN ILE 0.444444 0.672414
19 ARG ABA GLN ILE PHE ALA ASN ILE 0.444444 0.78
20 SER GLU ILE GLU PHE ALA ARG LEU 0.434426 0.719298
21 THR ASN GLU PHE ALA PHE 0.434343 0.75
22 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.433824 0.693548
23 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.433628 0.654545
24 ARG ABA VAL ILE PHE ALA ASN ILE 0.433333 0.684211
25 ASP PHE ALA ASN THR PHE LEU PRO 0.430894 0.646154
26 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.429752 0.814815
27 ASP PHE SER ILE 0.427083 0.833333
28 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.42623 0.698413
29 LYS ALA VAL PHE ASN PHE ALA THR MET 0.426087 0.690909
30 SER SER ILE GLU PHE ALA ARG LEU 0.424 0.736842
31 ALA SER ASN SER ILE ALA SER GLY 0.42 0.87234
32 ALA PHE THR SER 0.419355 0.826087
33 PHE SER ALA PTR VAL SER GLU GLU ASP 0.417391 0.65
34 SER HIS PHE ASN GLU TYR GLU 0.416 0.683333
35 OIR 0.413793 0.612245
36 ALA PHE THR 0.413793 0.717391
37 CYS ASP PTR ALA ASN PHE LYS 0.412371 0.8125
38 PHE ALA GLN 0.411111 0.695652
39 ARG TYR GLY PHE VAL ALA ASN PHE 0.409449 0.672131
40 ALA GLN PHE SER ALA SER ALA SER ARG 0.40708 0.777778
41 LEU SER PRO ASP SER PHE LEU ASN ASP 0.406593 0.787234
42 PHE GLY GLY 0.405063 0.727273
43 ALA VAL TYR ASN PHE ALA THR MET 0.404959 0.661017
44 PHE GLU ALA ASN GLY ASN LEU ILE 0.404959 0.803922
45 ACE PHE ALA THR ALA NH2 0.404255 0.744681
46 ASP SER GLY PHE SER PHE GLY SER LYS 0.402174 0.847826
47 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.401869 0.78
48 SER ILE ILE ASN PHE GLU LYS LEU 0.401639 0.826923
49 THR ASN GLU PHE TYR ALA 0.4 0.735849
50 ASP ALA GLU PHE ARG HIS ASP 0.4 0.685185
51 ALA ALA PHE 0.4 0.622222
Similar Ligands (3D)
Ligand no: 1; Ligand: SER PHE ALA ASN GLY; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ALA HIS ALA LYS ALA 0.8849
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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