› 1nwl

X-ray diffraction
2.4Å resolution

Crystal structure of the PTP1B complexed with SP7343-SP7964, a pTyr mimetic

Released:
DOI: 10.2210/pdb1nwl/pdb
PDB entry 1nwl coloured by chain, front view.
PDB entry 1nwl coloured by chain, side view.
PDB entry 1nwl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a new phosphotyrosine mimetic for PTP1B using breakaway tethering.
Erlanson DA, McDowell RS, He MM, Randal M, Simmons RL, Kung J, Waight A, Hansen SK
J Am Chem Soc 125 5602-3 (2003)
PMID: 12733877

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: 34.65 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

2 bound ligands:
Ligand MG 1 x MG
Ligand 964 1 x 964
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P3121
Unit cell:
a: 88.721Å b: 88.721Å c: 104.998Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.208 0.245
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Small-molecule inhibitors of protein-protein interactions: progressing towards the dream.
Arkin et al. (2004)
7 more

5 mentions without citation

Multipolar representation of protein structure.
Gramada et al. (2006)
4 more