› 3o5x

X-ray diffraction
2Å resolution

Crystal structure of the oncogenic tyrosine phosphatase SHP2 complexed with a salicylic acid-based small molecule inhibitor

Released:
DOI: 10.2210/pdb3o5x/pdb
PDB entry 3o5x coloured by chain, front view.
PDB entry 3o5x coloured by chain, side view.
PDB entry 3o5x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Salicylic acid based small molecule inhibitor for the oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2).
Zhang X, He Y, Liu S, Yu Z, Jiang ZX, Yang Z, Dong Y, Nabinger SC, Wu L, Gunawan AM, Wang L, Chan RJ, Zhang ZY
J Med Chem 53 2482-93 (2010)
PMID: 20170098

Function and Biology Details

Reaction catalysed: 
Protein tyrosine phosphate + H(2)O = protein tyrosine + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170287 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein phosphatase non-receptor type 11 Chain: A
Molecule details ›
Chain: A
Length: 276 amino acids
Theoretical weight: 32.28 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: Q06124 (Residues: 262-528; Coverage: 45%)
Gene names: PTP2C, PTPN11, SHPTP2
Sequence domains: Protein-tyrosine phosphatase
Structure domains: Protein tyrosine phosphatase superfamily

Ligands and Environments

1 bound ligand:
Ligand JZG 1 x JZG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 39.544Å b: 75.829Å c: 48.214Å
α: 90° β: 98.53° γ: 90°
R-values:
R R work R free
0.196 0.196 0.238

Quick links

Citations

23 review citations

Protein tyrosine phosphatases as potential therapeutic targets.
He et al. (2014)
22 more

6 mentions without citation

Therapeutic potential of targeting the oncogenic SHP2 phosphatase.
Zeng et al. (2014)
5 more