› 6cmr

X-ray diffraction
2.21Å resolution

Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor

Released:
DOI: 10.2210/pdb6cmr/pdb
PDB entry 6cmr coloured by chain, front view.
PDB entry 6cmr coloured by chain, side view.
PDB entry 6cmr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Pádua RAP, Sun Y, Marko I, Pitsawong W, Stiller JB, Otten R, Kern D
Nat Commun 9 4507 (2018)
PMID: 30375376

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: 532 amino acids
Theoretical weight: 60.99 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q06124 (Residues: 1-529; Coverage: 89%)
Gene names: PTP2C, PTPN11, SHPTP2
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand 5OD 1 x 5OD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Unit cell:
a: 41.27Å b: 54.36Å c: 221.53Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.227 0.224 0.26
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

13 review citations

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

3 mentions without citation

Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Pádua et al. (2018)
2 more