› 8skl

X-ray diffraction
1.55Å resolution

PTP1B in complex with 182

Released:
DOI: 10.2210/pdb8skl/pdb
PDB entry 8skl coloured by chain, front view.
PDB entry 8skl coloured by chain, side view.
PDB entry 8skl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A small molecule inhibitor of PTP1B and PTPN2 enhances T cell anti-tumor immunity.
Liang S, Tran E, Du X, Dong J, Sudholz H, Chen H, Qu Z, Huntington ND, Babon JJ, Kershaw NJ, Zhang ZY, Baell JB, Wiede F, Tiganis T
OpenAccess logo Nat Commun 14 4524 (2023)
PMID: 37500611

Function and Biology Details

Reaction catalysed: 
Protein tyrosine phosphate + H(2)O = protein tyrosine + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned

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: 322 amino acids
Theoretical weight: 37.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P18031 (Residues: 1-321; Coverage: 74%)
Gene names: PTP1B, PTPN1
Sequence domains: Protein-tyrosine phosphatase

Ligands and Environments

4 bound ligands:
Ligand CL 2 x CL
Ligand NA 1 x NA
Ligand V2O 1 x V2O
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P3121
Unit cell:
a: 87.961Å b: 87.961Å c: 104.345Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.177 0.176 0.194
Expression system: Escherichia coli

Quick links

Citations

10 review citations

IL-15 and N-803 for HIV Cure Approaches.
Howard et al. (2023)
9 more