› 2cmc

X-ray diffraction
2.2Å resolution

Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics

Released:
DOI: 10.2210/pdb2cmc/pdb
PDB entry 2cmc coloured by chain, front view.
PDB entry 2cmc coloured by chain, side view.
PDB entry 2cmc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis for inhibition of protein-tyrosine phosphatase 1B by isothiazolidinone heterocyclic phosphonate mimetics.
Ala PJ, Gonneville L, Hillman MC, Becker-Pasha M, Wei M, Reid BG, Klabe R, Yue EW, Wayland B, Douty B, Polam P, Wasserman Z, Bower M, Combs AP, Burn TC, Hollis GF, Wynn R
J Biol Chem 281 32784-95 (2006)
PMID: 16916797

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: 304 amino acids
Theoretical weight: 35.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P18031 (Residues: 2-298; Coverage: 68%)
Gene names: PTP1B, PTPN1
Sequence domains: Protein-tyrosine phosphatase
Structure domains: Protein tyrosine phosphatase superfamily

Ligands and Environments

3 bound ligands:
Ligand DFM 1 x DFM
Ligand SO4 1 x SO4
Ligand BOG 1 x BOG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P212121
Unit cell:
a: 62.2Å b: 70.9Å c: 83.31Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.209 0.263
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Bidentate inhibitors of protein tyrosine phosphatases.
Low et al. (2014)
2 more

11 mentions without citation

Targeting viral genome synthesis as broad-spectrum approach against RNA virus infections.
Huchting J. (2020)
10 more