› 5lwm

X-ray diffraction
1.55Å resolution

Crystal structure of JAK3 in complex with Compound 4 (FM381)

Released:
DOI: 10.2210/pdb5lwm/pdb
PDB entry 5lwm coloured by chain, front view.
PDB entry 5lwm coloured by chain, side view.
PDB entry 5lwm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Forster M, Chaikuad A, Bauer SM, Holstein J, Robers MB, Corona CR, Gehringer M, Pfaffenrot E, Ghoreschi K, Knapp S, Laufer SA
Cell Chem Biol 23 1335-1340 (2016)
PMID: 27840070

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: 294 amino acids
Theoretical weight: 33.42 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P52333 (Residues: 812-1103; Coverage: 26%)
Gene name: JAK3
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 79T 1 x 79T
Ligand PHU 1 x PHU
Ligand EDO 6 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P21
Unit cell:
a: 42.029Å b: 62.45Å c: 51.27Å
α: 90° β: 92.88° γ: 90°
R-values:
R R work R free
0.166 0.163 0.204
Expression system: Spodoptera frugiperda

Quick links

Citations

17 review citations

Emerging Topical and Systemic JAK Inhibitors in Dermatology.
Solimani et al. (2019)
16 more

5 mentions without citation

Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Forster et al. (2016)
4 more