› 3lxl

X-ray diffraction
1.74Å resolution

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

Released:
DOI: 10.2210/pdb3lxl/pdb
PDB entry 3lxl coloured by chain, front view.
PDB entry 3lxl coloured by chain, side view.
PDB entry 3lxl 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-156548 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase JAK3 Chain: A
Molecule details ›
Chain: A
Length: 327 amino acids
Theoretical weight: 37.19 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P52333 (Residues: 806-1124; Coverage: 28%)
Gene name: JAK3
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand IZA 1 x IZA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 47.192Å b: 75.187Å c: 89.07Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.193 0.227
Expression system: Spodoptera frugiperda

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Citations

18 review citations

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

13 mentions without citation

The use of structural biology in Janus kinase targeted drug discovery.
Alicea-Velázquez et al. (2011)
12 more