Receptor
PDB id Resolution Class Description Source Keywords
4N7C 1.75 Å NON-ENZYME: OTHER STRUCTURAL RE-EXAMINATION OF NATIVE BLA G 4 BLATTELLA GERMANICA ALLERGEN BETA BARREL GLYCOPROTEIN SECRETED PROTEIN BINDI
Ref.: THE MAJOR COCKROACH ALLERGEN BLA G 4 BINDS TYRAMINE OCTOPAMINE. MOL.IMMUNOL. V. 60 86 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AEF A:202;
Valid;
none;
Ka = 22200000 M^-1
137.179 C8 H11 N O c1cc(...
CIT A:201;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
GOL A:204;
A:203;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N7C 1.75 Å NON-ENZYME: OTHER STRUCTURAL RE-EXAMINATION OF NATIVE BLA G 4 BLATTELLA GERMANICA ALLERGEN BETA BARREL GLYCOPROTEIN SECRETED PROTEIN BINDI
Ref.: THE MAJOR COCKROACH ALLERGEN BLA G 4 BINDS TYRAMINE OCTOPAMINE. MOL.IMMUNOL. V. 60 86 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4N7C Ka = 22200000 M^-1 AEF C8 H11 N O c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4N7C Ka = 22200000 M^-1 AEF C8 H11 N O c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4N7C Ka = 22200000 M^-1 AEF C8 H11 N O c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AEF; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 AEF 1 1
2 YRL 0.571429 0.653846
3 AEG 0.424242 0.730769
4 LDP 0.4 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N7C; Ligand: AEF; 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: 4n7c.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4N7C; Ligand: AEF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4n7c.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4N7C; Ligand: AEF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4n7c.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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