› 1cj1

X-ray diffraction
3Å resolution

GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE

Released:
DOI: 10.2210/pdb1cj1/pdb
PDB entry 1cj1 coloured by chain, front view.
PDB entry 1cj1 coloured by chain, side view.
PDB entry 1cj1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design, synthesis, and X-ray crystallography of a high-affinity antagonist of the Grb2-SH2 domain containing an asparagine mimetic.
Furet P, García-Echeverría C, Gay B, Schoepfer J, Zeller M, Rahuel J
J Med Chem 42 2358-63 (1999)
PMID: 10395476

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158872 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Growth factor receptor-bound protein 2 Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 96 amino acids
Theoretical weight: 11.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62993 (Residues: 57-152; Coverage: 44%)
Gene names: ASH, GRB2
Sequence domains: SH2 domain
Structure domains: SH2 domain

Ligands and Environments

1 bound ligand:
Ligand C78 12 x C78
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR591
Spacegroup: P212121
Unit cell:
a: 73.8Å b: 93.3Å c: 232.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.305 0.305 0.317
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Recent advances in structure-based rational drug design.
Gane et al. (2000)
4 more

1 mention without citation

Binding modes of peptidomimetics designed to inhibit STAT3.
Dhanik et al. (2012)