› 6aam

X-ray diffraction
1.98Å resolution

Crystal structure of TYK2 in complex with peficitinib

Released:
DOI: 10.2210/pdb6aam/pdb
PDB entry 6aam coloured by chain, front view.
PDB entry 6aam coloured by chain, side view.
PDB entry 6aam coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor.
Hamaguchi H, Amano Y, Moritomo A, Shirakami S, Nakajima Y, Nakai K, Nomura N, Ito M, Higashi Y, Inoue T
Bioorg Med Chem 26 4971-4983 (2018)
PMID: 30145050

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-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-151548 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Non-receptor tyrosine-protein kinase TYK2 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 34.01 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P29597 (Residues: 888-1182; Coverage: 25%)
Gene name: TYK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 9T6 1 x 9T6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NE3A
Spacegroup: P212121
Unit cell:
a: 36.142Å b: 70.531Å c: 97.891Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.202 0.238
Expression system: Spodoptera frugiperda

Quick links

Citations

6 review citations

Novel Therapeutic Options for People with Ulcerative Colitis: An Update on Recent Developments with Janus Kinase (JAK) Inhibitors.
Troncone et al. (2020)
5 more

2 mentions without citation

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