Receptor
PDB id Resolution Class Description Source Keywords
5CAD 1.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE VICILIN FROM SOLANUM MELONGENA REVE EXISTENCE OF DIFFERENT ANIONIC LIGANDS IN STRUCTURALLY SIMIP OCKETS SOLANUM MELONGENA SOLANACEAE; SOLANUM MELONGENA;7S VICILIN; SM80.1 PLANT PROT
Ref.: CRYSTAL STRUCTURE OF THE VICILIN FROM SOLANUM MELON REVEALS EXISTENCE OF DIFFERENT ANIONIC LIGANDS IN STRUCTURALLY SIMILAR POCKETS SCI REP V. 6 23600 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
ACT A:402;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
PCA A:403;
Valid;
none;
submit data
129.114 C5 H7 N O3 C1CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CAD 1.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE VICILIN FROM SOLANUM MELONGENA REVE EXISTENCE OF DIFFERENT ANIONIC LIGANDS IN STRUCTURALLY SIMIP OCKETS SOLANUM MELONGENA SOLANACEAE; SOLANUM MELONGENA;7S VICILIN; SM80.1 PLANT PROT
Ref.: CRYSTAL STRUCTURE OF THE VICILIN FROM SOLANUM MELON REVEALS EXISTENCE OF DIFFERENT ANIONIC LIGANDS IN STRUCTURALLY SIMILAR POCKETS SCI REP V. 6 23600 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
2 5YJS - SAL C7 H6 O3 c1ccc(c(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 5CAD - PCA C5 H7 N O3 C1CC(=O)N[....
2 5YJS - SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PCA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CAD; Ligand: PCA; 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: 5cad.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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