› 7fqo

X-ray diffraction
1.93Å resolution

PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000523a

Released:
DOI: 10.2210/pdb7fqo/pdb
PDB entry 7fqo coloured by chain, front view.
PDB entry 7fqo coloured by chain, side view.
PDB entry 7fqo coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Skaist Mehlman T, Biel JT, Azeem SM, Nelson ER, Hossain S, Dunnett L, Paterson NG, Douangamath A, Talon R, Axford D, Orins H, von Delft F, Keedy DA
OpenAccess logo Elife 12 (2023)
PMID: 36881464

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: 37.35 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

2 bound ligands:
Ligand TRS 1 x TRS
Ligand WUW 1 x WUW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P3121
Unit cell:
a: 89.6Å b: 89.6Å c: 106.38Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.164 0.162 0.2
Expression system: Escherichia coli

Quick links

Citations

6 citation in other articles

Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Doppler et al. (2023)
5 more