› 4i0s

X-ray diffraction
1.98Å resolution

Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide

Released:
DOI: 10.2210/pdb4i0s/pdb
PDB entry 4i0s coloured by chain, front view.
PDB entry 4i0s coloured by chain, side view.
PDB entry 4i0s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
Padilla F, Bhagirath N, Chen S, Chiao E, Goldstein DM, Hermann JC, Hsu J, Kennedy-Smith JJ, Kuglstatter A, Liao C, Liu W, Lowrie LE, Luk KC, Lynch SM, Menke J, Niu L, Owens TD, O-Yang C, Railkar A, Schoenfeld RC, Slade M, Steiner S, Tan YC, Villaseñor AG, Wang C, Wanner J, Xie W, Xu D, Zhang X, Zhou M, Lucas MC
J Med Chem 56 1677-92 (2013)
PMID: 23350847

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-155056 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase SYK Chain: A
Molecule details ›
Chain: A
Length: 291 amino acids
Theoretical weight: 33.88 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P43405 (Residues: 356-635; Coverage: 44%)
Gene name: SYK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 1B5 1 x 1B5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P212121
Unit cell:
a: 39.797Å b: 85.341Å c: 90.212Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.217 0.236
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Small-molecule inhibitors of spleen tyrosine kinase as therapeutic agents for immune disorders: will promise meet expectations?
Lucas et al. (2014)
2 more

1 mention without citation

Biodiversity of Phages Infecting the Dairy Bacterium Streptococcus thermophilus.
Hanemaaijer et al. (2021)