› 1c86

X-ray diffraction
2.3Å resolution

CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B (R47V,D48N) COMPLEXED WITH 2-(OXALYL-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID

Released:
DOI: 10.2210/pdb1c86/pdb
PDB entry 1c86 coloured by chain, front view.
PDB entry 1c86 coloured by chain, side view.
PDB entry 1c86 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B.
Iversen LF, Andersen HS, Branner S, Mortensen SB, Peters GH, Norris K, Olsen OH, Jeppesen CB, Lundt BF, Ripka W, Møller KB, Møller NP
J Biol Chem 275 10300-7 (2000)
PMID: 10744717

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: 298 amino acids
Theoretical weight: 34.66 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P18031 (Residues: 1-298; Coverage: 69%)
Gene names: PTP1B, PTPN1
Sequence domains: Protein-tyrosine phosphatase
Structure domains: Protein tyrosine phosphatase superfamily

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I711
Spacegroup: P3121
Unit cell:
a: 88.274Å b: 88.274Å c: 104.501Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.194 0.262
Expression system: Escherichia coli

Quick links

Citations

19 review citations

Structural and evolutionary relationships among protein tyrosine phosphatase domains.
Andersen et al. (2001)
18 more

5 mentions without citation

Rational approaches to improving selectivity in drug design.
Huggins et al. (2012)
4 more