Receptor
PDB id Resolution Class Description Source Keywords
1LKE 1.9 Å NON-ENZYME: BINDING ENGINEERED LIPOCALIN DIGA16 IN COMPLEX WITH DIGOXIGENIN PIERIS BRASSICAE PIERIS BRASSICAE LIPOCALIN ANTICALIN GENETICAL ENGINEERINDIGOXIGENIN LIGAND BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM OF SPECIFIC LIGAND RECOGNITION LIPOCALIN TAILORED FOR THE COMPLEXATION OF DIGOXIGE J.MOL.BIOL. V. 330 385 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DOG A:500;
Valid;
none;
Kd = 30.2 nM
390.513 C23 H34 O5 C[C@]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LNM 1.9 Å NON-ENZYME: BINDING ANTICALIN DIGA16 IN COMPLEX WITH DIGITOXIGENIN PIERIS BRASSICAE PIERIS BRASSICAE LIPOCALIN ANTICALIN GENETICAL ENGINEERINDIGOXIGENIN DIGITOXIGENIN LIGAND BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM OF SPECIFIC LIGAND RECOGNITION LIPOCALIN TAILORED FOR THE COMPLEXATION OF DIGOXIGE J.MOL.BIOL. V. 330 385 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1LKE Kd = 30.2 nM DOG C23 H34 O5 C[C@]12CC[....
2 1N0S Kd = 35.2 nM FLU C20 H12 O5 c1ccc(c(c1....
3 1LNM Kd = 2 nM DTX C23 H34 O4 C[C@]12CC[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1LKE Kd = 30.2 nM DOG C23 H34 O5 C[C@]12CC[....
2 1N0S Kd = 35.2 nM FLU C20 H12 O5 c1ccc(c(c1....
3 1LNM Kd = 2 nM DTX C23 H34 O4 C[C@]12CC[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1LKE Kd = 30.2 nM DOG C23 H34 O5 C[C@]12CC[....
2 1N0S Kd = 35.2 nM FLU C20 H12 O5 c1ccc(c(c1....
3 1LNM Kd = 2 nM DTX C23 H34 O4 C[C@]12CC[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DOG; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 DOG 1 1
2 DTX 0.6 0.955556
3 DGX 0.588785 0.882353
Similar Ligands (3D)
Ligand no: 1; Ligand: DOG; Similar ligands found: 1
No: Ligand Similarity coefficient
1 CHD 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LNM; Ligand: DTX; 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: 1lnm.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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