› 6x8f

X-ray diffraction
2.15Å resolution

Crystal structure of TYK2 with Compound 11

Released:
DOI: 10.2210/pdb6x8f/pdb
Model geometry
Fit model/data
PDB entry 6x8f coloured by chain, front view.
PDB entry 6x8f coloured by chain, side view.
PDB entry 6x8f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
Gerstenberger BS, Ambler C, Arnold EP, Banker ME, Brown MF, Clark JD, Dermenci A, Dowty ME, Fensome A, Fish S, Hayward MM, Hegen M, Hollingshead BD, Knafels JD, Lin DW, Lin TH, Owen DR, Saiah E, Sharma R, Vajdos FF, Xing L, Yang X, Yang X, Wright SW
J Med Chem 63 13561-13577 (2020)
PMID: 32787094

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 Chains: A, C
Molecule details ›
Chains: A, C
Length: 318 amino acids
Theoretical weight: 36.55 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

Ligands and Environments

1 bound ligand:
Ligand UWP 2 x UWP
1 modified residue:
Ligand PTR 2 x PTR

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 74.275Å b: 36.098Å c: 100.256Å
α: 90° β: 91.15° γ: 90°
R-values:
R R work R free
0.208 0.205 0.255
Expression system: Spodoptera frugiperda

Quick links

Citations

14 review citations

Selective Tyrosine Kinase 2 Inhibition for Treatment of Inflammatory Bowel Disease: New Hope on the Rise.
Danese et al. (2021)
13 more