› 2aob

X-ray diffraction
1.8Å resolution

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

Released:
DOI: 10.2210/pdb2aob/pdb
PDB entry 2aob coloured by chain, front view.
PDB entry 2aob coloured by chain, side view.
PDB entry 2aob 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, C, D
Molecule details ›
Chains: A, B, C, D
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

1 bound ligand:
Ligand S1S 12 x S1S
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: C2221
Unit cell:
a: 87.817Å b: 106.191Å c: 102.083Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.235 0.232 0.293
Expression system: Escherichia coli

Quick links

Citations

2 review citations

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

6 mentions without citation

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