› 3c7i

X-ray diffraction
1.7Å resolution

X-RAY crystal structure of the complex between the grb2-sh2 domain and a flexible ligand, FPTVN.

Released:
DOI: 10.2210/pdb3c7i/pdb
PDB entry 3c7i coloured by chain, front view.
PDB entry 3c7i coloured by chain, side view.
PDB entry 3c7i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ligand preorganization may be accompanied by entropic penalties in protein-ligand interactions.
Benfield AP, Teresk MG, Plake HR, DeLorbe JE, Millspaugh LE, Martin SF
Angew Chem Int Ed Engl 45 6830-5 (2006)
PMID: 17001728

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 Chain: A
Molecule details ›
Chain: A
Length: 116 amino acids
Theoretical weight: 13.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62993 (Residues: 53-162; Coverage: 51%)
Gene names: ASH, GRB2
Sequence domains: SH2 domain
Structure domains: SH2 domain

Ligands and Environments

2 bound ligands:
Ligand TVN 1 x TVN
Ligand FMT 1 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P43212
Unit cell:
a: 42.053Å b: 42.053Å c: 109.426Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.207 0.234
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Molecular recognition in chemical and biological systems.
Persch et al. (2015)
3 more

5 mentions without citation

Predicting new indications for approved drugs using a proteochemometric method.
Dakshanamurthy et al. (2012)
4 more