› 5khw

X-ray diffraction
2.47Å resolution

Crystal structure of JAK1 in complex with ADP

Released:
DOI: 10.2210/pdb5khw/pdb
PDB entry 5khw coloured by chain, front view.
PDB entry 5khw coloured by chain, side view.
PDB entry 5khw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system.
Caspers NL, Han S, Rajamohan F, Hoth LR, Geoghegan KF, Subashi TA, Vazquez ML, Kaila N, Cronin CN, Johnson E, Kurumbail RG
Acta Crystallogr F Struct Biol Commun 72 840-845 (2016)
PMID: 27827355

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-149968 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase JAK1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 316 amino acids
Theoretical weight: 36.42 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P23458 (Residues: 841-1154; Coverage: 27%)
Gene names: JAK1, JAK1A, JAK1B
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ADP 2 x ADP
Ligand MG 2 x MG
1 modified residue:
Ligand PTR 4 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 45.631Å b: 146.62Å c: 49.936Å
α: 90° β: 116.74° γ: 90°
R-values:
R R work R free
0.188 0.185 0.231
Expression system: Spodoptera frugiperda

Quick links

Citations

3 citation in other articles

Identification of Potent and Selective JAK1 Lead Compounds Through Ligand-Based Drug Design Approaches.
Babu et al. (2022)
2 more

3 mentions without citation

The molecular basis of JAK/STAT inhibition by SOCS1.
Liau et al. (2018)
2 more