› 1nz7

X-ray diffraction
2.4Å resolution

POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, complexed with compound 19.

Released:
DOI: 10.2210/pdb1nz7/pdb
PDB entry 1nz7 coloured by chain, front view.
PDB entry 1nz7 coloured by chain, side view.
PDB entry 1nz7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Potent, selective inhibitors of protein tyrosine phosphatase 1B.
Xin Z, Oost TK, Abad-Zapatero C, Hajduk PJ, Pei Z, Szczepankiewicz BG, Hutchins CW, Ballaron SJ, Stashko MA, Lubben T, Trevillyan JM, Jirousek MR, Liu G
Bioorg Med Chem Lett 13 1887-90 (2003)
PMID: 12749891

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 901 1 x 901
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P3121
Unit cell:
a: 88.84Å b: 88.84Å c: 105.435Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.195 0.189 0.217
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Inhibition of the protein tyrosine phosphatase PTP1B: potential therapy for obesity, insulin resistance and type-2 diabetes mellitus.
Koren et al. (2007)
10 more

2 mentions without citation

Docking of oxalyl aryl amino benzoic acid derivatives into PTP1B.
Verma et al. (2008)
1 more