› 5eeq

X-ray diffraction
1.6Å resolution

Grb7 SH2 with the G7-B1 bicyclic peptide inhibitor

Released:
DOI: 10.2210/pdb5eeq/pdb
PDB entry 5eeq coloured by chain, front view.
PDB entry 5eeq coloured by chain, side view.
PDB entry 5eeq coloured by chain, top view.
Source organisms:
Primary publication:
Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7.
Gunzburg MJ, Kulkarni K, Watson GM, Ambaye ND, Del Borgo MP, Brandt R, Pero SC, Perlmutter P, Wilce MC, Wilce JA
Sci Rep 6 27060 (2016)
PMID: 27257138

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-165595 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Growth factor receptor-bound protein 7 Chains: A, B
Molecule details ›
Chains: A, B
Length: 120 amino acids
Theoretical weight: 13.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q14451 (Residues: 415-532; Coverage: 22%)
Gene name: GRB7
Sequence domains: SH2 domain
Structure domains: SH2 domain
Bicyclic Peptide Inhibitor Chains: L, M
Molecule details ›
Chains: L, M
Length: 11 amino acids
Theoretical weight: 1.38 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand PO4 2 x PO4
1 modified residue:
Ligand 73C 2 x 73C

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 37.081Å b: 63.811Å c: 52.04Å
α: 90° β: 92.5° γ: 90°
R-values:
R R work R free
0.175 0.173 0.196
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

5 review citations

Arylation Chemistry for Bioconjugation.
Zhang et al. (2019)
4 more

4 mentions without citation

Stapled Peptides Inhibitors: A New Window for Target Drug Discovery.
Ali et al. (2019)
3 more