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Solution NMR

Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands for the AF6 PDZ Domain

Released:
DOI: 10.2210/pdb2exg/pdb
PDB entry 2exg coloured by chain, ensemble of 20 models, front view.
PDB entry 2exg coloured by chain, ensemble of 20 models, side view.
PDB entry 2exg coloured by chain, ensemble of 20 models, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of low-molecular-weight ligands for the AF6 PDZ domain.
Joshi M, Vargas C, Boisguerin P, Diehl A, Krause G, Schmieder P, Moelling K, Hagen V, Schade M, Oschkinat H
Angew Chem Int Ed Engl 45 3790-5 (2006)
PMID: 16671149

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157211 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Afadin Chain: A
Molecule details ›
Chain: A
Length: 101 amino acids
Theoretical weight: 10.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55196 (Residues: 1001-1096; Coverage: 5%)
Gene names: AF6, AFDN, MLLT4
Sequence domains: PDZ domain
Structure domains: Pdz3 Domain

Ligands and Environments

1 bound ligand:
Ligand STF 1 x STF
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: Torsional angle dynamics
Expression system: Escherichia coli

Quick links

Citations

6 review citations

State-of-the-art strategies for targeting protein-protein interactions by small-molecule inhibitors.
Sheng et al. (2015)
5 more

4 mentions without citation

Modeling of RAS complexes supports roles in cancer for less studied partners.
Engin et al. (2017)
3 more