› 7gth

X-ray diffraction
1.66Å resolution

PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000637a

Released:
DOI: 10.2210/pdb7gth/pdb
PDB entry 7gth coloured by chain, front view.
PDB entry 7gth coloured by chain, side view.
PDB entry 7gth coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Mehlman TS, Ginn HM, Keedy DA
OpenAccess logo bioRxiv (2024)
PMID: 38260327

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: 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 A1ABM 1 x A1ABM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P3121
Unit cell:
a: 90.1Å b: 90.1Å c: 106.765Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.202 0.2 0.235
Expression system: Escherichia coli

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