› 4rdd

X-ray diffraction
1.6Å resolution

Co-crystal structure of SHP2 in complex with a Cefsulodin derivative

Released:
DOI: 10.2210/pdb4rdd/pdb
PDB entry 4rdd coloured by chain, front view.
PDB entry 4rdd coloured by chain, side view.
PDB entry 4rdd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Exploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors.
He R, Yu ZH, Zhang RY, Wu L, Gunawan AM, Lane BS, Shim JS, Zeng LF, He Y, Chen L, Wells CD, Liu JO, Zhang ZY
ACS Med Chem Lett 6 782-6 (2015)
PMID: 26191366

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: 275 amino acids
Theoretical weight: 32.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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 3LU 1 x 3LU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 39.638Å b: 75.274Å c: 48.046Å
α: 90° β: 99.11° γ: 90°
R-values:
R R work R free
0.176 0.175 0.201
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Low molecular weight protein tyrosine phosphatase as signaling hub of cancer hallmarks.
Faria et al. (2021)
4 more

8 mentions without citation

Recent advances in the discovery of protein tyrosine phosphatase SHP2 inhibitors.
Kong et al. (2022)
7 more