› 3lxn

X-ray diffraction
2.5Å resolution

Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6

Released:
DOI: 10.2210/pdb3lxn/pdb
PDB entry 3lxn coloured by chain, front view.
PDB entry 3lxn coloured by chain, side view.
PDB entry 3lxn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
Chrencik JE, Patny A, Leung IK, Korniski B, Emmons TL, Hall T, Weinberg RA, Gormley JA, Williams JM, Day JE, Hirsch JL, Kiefer JR, Leone JW, Fischer HD, Sommers CD, Huang HC, Jacobsen EJ, Tenbrink RE, Tomasselli AG, Benson TE
J Mol Biol 400 413-33 (2010)
PMID: 20478313

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: 318 amino acids
Theoretical weight: 36.53 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 MI1 1 x MI1
1 modified residue:
Ligand PTR 1 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 36.306Å b: 74.262Å c: 106.46Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.223 0.22 0.286
Expression system: Spodoptera frugiperda

Quick links

Citations

18 review citations

FDA-approved small-molecule kinase inhibitors.
Wu et al. (2015)
17 more

8 mentions without citation

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