Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening

PDB ID: 4DHQ
Metal site ID: 4DHQ-MG-1
Bound amino acids or nucleotide residues: E1K1Q1
Group identifier: E1K1Q1
Is homomeric: True
Amino acid or nucleotide residue IDs: GLN A.8 GLU A.80 LYS A.77
All ligands IDs: GLN A.8 GLU A.80 HOH A.747 HOH A.748 HOH A.829 LYS A.77
Number of coordinating amino acids or nucleotide residues: 3
Number of coordinating ligands: 6
Number of coordinating chains: 2
Number of coordinating chains: 2
Representative metal site in the group: 4DHQ-MG-1
Similar binding_sites:
Metal site idBound amino acidsBound ligands IDs
3P1O-MG-1E1K1Q1 GLN A.8 GLU A.80 HOH A.362 HOH A.387 LYS A.77
3P1O-MG-2E1K1Q1 GLN A.8 GLU A.80 HOH A.362 HOH A.387 LYS A.77
4DHQ-MG-2E1K1Q1 GLN A.8 GLU A.80 HOH A.747 HOH A.748 HOH A.829 LYS A.77