› 2nta

X-ray diffraction
2.1Å resolution

Crystal Structure of PTP1B-inhibitor Complex

Released:
DOI: 10.2210/pdb2nta/pdb
PDB entry 2nta coloured by chain, front view.
PDB entry 2nta coloured by chain, side view.
PDB entry 2nta coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Probing acid replacements of thiophene PTP1B inhibitors.
Wan ZK, Follows B, Kirincich S, Wilson D, Binnun E, Xu W, Joseph-McCarthy D, Wu J, Smith M, Zhang YL, Tam M, Erbe D, Tam S, Saiah E, Lee J
Bioorg Med Chem Lett 17 2913-20 (2007)
PMID: 17336064

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: 299 amino acids
Theoretical weight: 34.82 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P18031 (Residues: 1-299; Coverage: 69%)
Gene names: PTP1B, PTPN1
Sequence domains: Protein-tyrosine phosphatase
Structure domains: Protein tyrosine phosphatase superfamily

Ligands and Environments

1 bound ligand:
Ligand 521 1 x 521
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P3121
Unit cell:
a: 88.256Å b: 88.256Å c: 104.17Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.215 0.215 0.247
Expression system: Escherichia coli

Quick links

Citations

3 review citations

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

3 mentions without citation

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