› 1wax

X-ray diffraction
2.2Å resolution

Protein tyrosine phosphatase 1B with active site inhibitor

Released:
DOI: 10.2210/pdb1wax/pdb
PDB entry 1wax coloured by chain, front view.
PDB entry 1wax coloured by chain, side view.
PDB entry 1wax coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment-based lead discovery using X-ray crystallography.
Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H
J Med Chem 48 403-13 (2005)
PMID: 15658854

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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148259 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein phosphatase non-receptor type 1 Chain: A
Molecule details ›
Chain: A
Length: 321 amino acids
Theoretical weight: 37.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P18031 (Residues: 1-321; Coverage: 74%)
Gene names: PTP1B, PTPN1
Sequence domains: Protein-tyrosine phosphatase
Structure domains: Protein tyrosine phosphatase superfamily

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand LO1 1 x LO1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P3121
Unit cell:
a: 88.095Å b: 88.095Å c: 104.497Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.201 0.198 0.266
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

54 review citations

Vemurafenib: the first drug approved for BRAF-mutant cancer.
Bollag et al. (2012)
53 more

2 mentions without citation

Knowledge-based characterization of similarity relationships in the human protein-tyrosine phosphatase family for rational inhibitor design.
Vidović et al. (2009)
1 more