› 1l8g

X-ray diffraction
2.5Å resolution

Crystal structure of PTP1B complexed with 7-(1,1-Dioxo-1H-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid

Released:
DOI: 10.2210/pdb1l8g/pdb
PDB entry 1l8g coloured by chain, front view.
PDB entry 1l8g coloured by chain, side view.
PDB entry 1l8g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Steric hindrance as a basis for structure-based design of selective inhibitors of protein-tyrosine phosphatases.
Iversen LF, Andersen HS, Møller KB, Olsen OH, Peters GH, Branner S, Mortensen SB, Hansen TK, Lau J, Ge Y, Holsworth DD, Newman MJ, Hundahl Møller NP
Biochemistry 40 14812-20 (2001)
PMID: 11732900

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
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 DBD 1 x DBD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P3121
Unit cell:
a: 88.258Å b: 88.258Å c: 103.617Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.189 0.189 0.27
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Protein tyrosine phosphatase 1B inhibitors for diabetes.
Johnson et al. (2002)
10 more

5 mentions without citation

Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble.
Yongye et al. (2010)
4 more