› 3emg

X-ray diffraction
2.6Å resolution

Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK)

Released:
DOI: 10.2210/pdb3emg/pdb
PDB entry 3emg coloured by chain, front view.
PDB entry 3emg coloured by chain, side view.
PDB entry 3emg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK).
Farmer LJ, Bemis G, Britt SD, Cochran J, Connors M, Harrington EM, Hoock T, Markland W, Nanthakumar S, Taslimi P, Ter Haar E, Wang J, Zhaveri D, Salituro FG
Bioorg Med Chem Lett 18 6231-5 (2008)
PMID: 18938080

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: 33.71 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P43405 (Residues: 349-635; Coverage: 45%)
Gene name: SYK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 685 1 x 685
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P21
Unit cell:
a: 39.87Å b: 84.45Å c: 41.44Å
α: 90° β: 99.63° γ: 90°
R-values:
R R work R free
0.2 0.2 0.222
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Targeting innate immunity protein kinase signalling in inflammation.
Gaestel et al. (2009)
3 more

2 mentions without citation

Predicting new indications for approved drugs using a proteochemometric method.
Dakshanamurthy et al. (2012)
1 more