› 6xef

X-ray diffraction
2.05Å resolution

Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to vanadate

Released:
DOI: 10.2210/pdb6xef/pdb
PDB entry 6xef coloured by chain, front view.
PDB entry 6xef coloured by chain, side view.
PDB entry 6xef coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Shen R, Crean RM, Olsen KJ, Corbella M, Calixto AR, Richan T, Brandão TAS, Berry RD, Tolman A, Loria JP, Johnson SJ, Kamerlin SCL, Hengge AC
OpenAccess logo Chem Sci 13 13524-13540 (2022)
PMID: 36507179

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: 321 amino acids
Theoretical weight: 37.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P18031 (Residues: 1-321; Coverage: 74%)
Gene names: PTP1B, PTPN1
Sequence domains: Protein-tyrosine phosphatase

Ligands and Environments

4 bound ligands:
Ligand TRS 1 x TRS
Ligand MG 2 x MG
Ligand VO4 1 x VO4
Ligand BEN 1 x BEN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: P3121
Unit cell:
a: 88.384Å b: 88.384Å c: 104.879Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.182 0.181 0.203
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Loop dynamics and the evolution of enzyme activity.
Corbella et al. (2023)
1 more

3 mentions without citation

Interaction of Vanadium Complexes with Proteins: Revisiting the Reported Structures in the Protein Data Bank (PDB) since 2015.
Santos et al. (2023)
2 more