› 5u06

X-ray diffraction
2.1Å resolution

Grb7-SH2 with bicyclic peptide inhibitor containing a pY mimetic

Released:
DOI: 10.2210/pdb5u06/pdb
PDB entry 5u06 coloured by chain, front view.
PDB entry 5u06 coloured by chain, side view.
PDB entry 5u06 coloured by chain, top view.
Source organisms:
Primary publication:
Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
Watson GM, Kulkarni K, Sang J, Ma X, Gunzburg MJ, Perlmutter P, Wilce MCJ, Wilce JA
J Med Chem 60 9349-9359 (2017)
PMID: 29083893

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-166137 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Growth factor receptor-bound protein 7 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
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: LYS-PHE-GLU-GLY-CMF-ASP-ASN-GLU-CST Chains: L, M, N, P
Molecule details ›
Chains: L, M, N, P
Length: 9 amino acids
Theoretical weight: 1.2 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand K 1 x K
1 modified residue:
Ligand 1PA 4 x 1PA

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 47.98Å b: 109.741Å c: 48.33Å
α: 90° β: 103.44° γ: 90°
R-values:
R R work R free
0.215 0.206 0.253
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

5 review citations

Phosphotyrosine isosteres: past, present and future.
Cerulli et al. (2020)
4 more