› 4oti

X-ray diffraction
1.93Å resolution

Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib

Released:
DOI: 10.2210/pdb4oti/pdb
PDB entry 4oti coloured by chain, front view.
PDB entry 4oti coloured by chain, side view.
PDB entry 4oti coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of PRK1 in complex with the clinical compounds lestaurtinib and tofacitinib reveal ligand induced conformational changes.
Chamberlain P, Delker S, Pagarigan B, Mahmoudi A, Jackson P, Abbasian M, Muir J, Raheja N, Cathers B
PLoS One 9 e103638 (2014)
PMID: 25111382

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172465 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase N1 Chain: A
Molecule details ›
Chain: A
Length: 341 amino acids
Theoretical weight: 38.34 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q16512 (Residues: 605-942; Coverage: 36%)
Gene names: PAK1, PKN, PKN1, PRK1, PRKCL1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MI1 1 x MI1
2 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 56.281Å b: 72.486Å c: 94.481Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.226
Expression system: Trichoplusia ni

Quick links

Citations

1 review citation

The structure and function of protein kinase C-related kinases (PRKs).
Sophocleous et al. (2021)
5 other articles

6 mentions without citation

A Comprehensive Overview of Globally Approved JAK Inhibitors.
Shawky et al. (2022)
5 more