› 2aoa

X-ray diffraction
1.99Å resolution

Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain

Released:
DOI: 10.2210/pdb2aoa/pdb
PDB entry 2aoa coloured by chain, front view.
PDB entry 2aoa coloured by chain, side view.
PDB entry 2aoa coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain.
Phan J, Shi ZD, Burke TR, Waugh DS
J Mol Biol 353 104-15 (2005)
PMID: 16165154

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-158852 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Growth factor receptor-bound protein 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 99 amino acids
Theoretical weight: 11.58 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62993 (Residues: 55-153; Coverage: 46%)
Gene names: ASH, GRB2
Sequence domains: SH2 domain
Structure domains: SH2 domain

Ligands and Environments

2 bound ligands:
Ligand S1S 3 x S1S
Ligand P33 1 x P33
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: F222
Unit cell:
a: 88.173Å b: 102.659Å c: 107.24Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.249 0.246 0.307
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Progress towards the development of SH2 domain inhibitors.
Kraskouskaya et al. (2013)
1 more

2 mentions without citation

Structural and energetic aspects of Grb2-SH2 domain-swapping.
Benfield et al. (2007)
1 more