› 5ka1

X-ray diffraction
1.84Å resolution

Protein Tyrosine Phosphatase 1B Delta helix 7 mutant in complex with TCS401, closed state

Released:
DOI: 10.2210/pdb5ka1/pdb
PDB entry 5ka1 coloured by chain, front view.
PDB entry 5ka1 coloured by chain, side view.
PDB entry 5ka1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Choy MS, Li Y, Machado LESF, Kunze MBA, Connors CR, Wei X, Lindorff-Larsen K, Page R, Peti W
Mol Cell 65 644-658.e5 (2017)
PMID: 28212750

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: 289 amino acids
Theoretical weight: 33.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P18031 (Residues: 1-284; Coverage: 65%)
Gene names: PTP1B, PTPN1
Sequence domains: Protein-tyrosine phosphatase
Structure domains: Protein tyrosine phosphatase superfamily

Ligands and Environments

5 bound ligands:
Ligand OTA 1 x OTA
Ligand CL 4 x CL
Ligand TRS 1 x TRS
Ligand DMS 2 x DMS
Ligand GOL 6 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P3221
Unit cell:
a: 88.021Å b: 88.021Å c: 72.972Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.168 0.166 0.195
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Turn and Face the Strange: A New View on Phosphatases.
Köhn M. (2020)
5 more

2 mentions without citation

Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Choy et al. (2017)
1 more