› 6bmw

X-ray diffraction
2.1Å resolution

Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504

Released:
DOI: 10.2210/pdb6bmw/pdb
PDB entry 6bmw coloured by chain, front view.
PDB entry 6bmw coloured by chain, side view.
PDB entry 6bmw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Dual Allosteric Inhibition of SHP2 Phosphatase.
Fodor M, Price E, Wang P, Lu H, Argintaru A, Chen Z, Glick M, Hao HX, Kato M, Koenig R, LaRochelle JR, Liu G, McNeill E, Majumdar D, Nishiguchi GA, Perez LB, Paris G, Quinn CM, Ramsey T, Sendzik M, Shultz MD, Williams SL, Stams T, Blacklow SC, Acker MG, LaMarche MJ
ACS Chem Biol 13 647-656 (2018)
PMID: 29304282

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

4 bound ligands:
Ligand 5OD 2 x 5OD
Ligand DZS 2 x DZS
Ligand PO4 4 x PO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 46.27Å b: 214.13Å c: 56.03Å
α: 90° β: 96.68° γ: 90°
R-values:
R R work R free
0.188 0.186 0.229
Expression system: Escherichia coli

Quick links

Citations

13 review citations

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

1 mention without citation

SH2db, an information system for the SH2 domain.
Bajusz et al. (2023)