› 2f6v

X-ray diffraction
1.7Å resolution

Protein tyrosine phosphatase 1B with sulfamic acid inhibitors

Released:
DOI: 10.2210/pdb2f6v/pdb
PDB entry 2f6v coloured by chain, front view.
PDB entry 2f6v coloured by chain, side view.
PDB entry 2f6v coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors.
Klopfenstein SR, Evdokimov AG, Colson AO, Fairweather NT, Neuman JJ, Maier MB, Gray JL, Gerwe GS, Stake GE, Howard BW, Farmer JA, Pokross ME, Downs TR, Kasibhatla B, Peters KG
Bioorg Med Chem Lett 16 1574-8 (2006)
PMID: 16386905

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: 34.72 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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

3 bound ligands:
Ligand MG 1 x MG
Ligand CL 5 x CL
Ligand SK2 1 x SK2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P3121
Unit cell:
a: 87.984Å b: 87.984Å c: 104.455Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.171 0.188
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

Microfluidics: reframing biological enquiry.
Duncombe et al. (2015)
9 more

8 mentions without citation

Cryptic binding sites on proteins: definition, detection, and druggability.
Vajda et al. (2018)
7 more