› 6mda

X-ray diffraction
2.21Å resolution

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4

Released:
DOI: 10.2210/pdb6mda/pdb
PDB entry 6mda coloured by chain, front view.
PDB entry 6mda coloured by chain, side view.
PDB entry 6mda coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
Bagdanoff JT, Chen Z, Acker M, Chen YN, Chan H, Dore M, Firestone B, Fodor M, Fortanet J, Hentemann M, Kato M, Koenig R, LaBonte LR, Liu S, Mohseni M, Ntaganda R, Sarver P, Smith T, Sendzik M, Stams T, Spence S, Towler C, Wang H, Wang P, Williams SL, LaMarche MJ
J Med Chem 62 1781-1792 (2019)
PMID: 30688462

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 526 amino acids
Theoretical weight: 60.34 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q06124 (Residues: 1-525; Coverage: 89%)
Gene names: PTP2C, PTPN11, SHPTP2
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand JED 2 x JED
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 46.63Å b: 213.29Å c: 56Å
α: 90° β: 96.86° γ: 90°
R-values:
R R work R free
0.188 0.188 0.251
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Turn and Face the Strange: A New View on Phosphatases.
Köhn M. (2020)
9 more

6 mentions without citation

Driving biomass breakdown through engineered cellulosomes.
Gilmore et al. (2015)
5 more