› 3eb1

X-ray diffraction
2.4Å resolution

Crystal structure PTP1B complex with small molecule inhibitor LZP-25

Released:
DOI: 10.2210/pdb3eb1/pdb
PDB entry 3eb1 coloured by chain, front view.
PDB entry 3eb1 coloured by chain, side view.
PDB entry 3eb1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
Liu S, Zeng LF, Wu L, Yu X, Xue T, Gunawan AM, Long YQ, Zhang ZY
J Am Chem Soc 130 17075-84 (2008)
PMID: 19012396

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-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
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

1 bound ligand:
Ligand LZQ 1 x LZQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P3121
Unit cell:
a: 88.526Å b: 88.526Å c: 104.722Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.207 0.207 0.253
Expression system: Escherichia coli

Quick links

Citations

6 review citations

The therapeutic potential of phosphatase inhibitors.
Vintonyak et al. (2009)
5 more

11 mentions without citation

Protein tyrosine phosphatases: structure, function, and implication in human disease.
Tautz et al. (2013)
10 more