› 4px6

X-ray diffraction
1.6Å resolution

SYK catalytic domain in complex with a potent pyridopyrimidinone inhibitor

Released:
DOI: 10.2210/pdb4px6/pdb
PDB entry 4px6 coloured by chain, front view.
PDB entry 4px6 coloured by chain, side view.
PDB entry 4px6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Syk inhibitors with high potency in presence of blood.
Thoma G, Blanz J, Bühlmayer P, Drückes P, Kittelmann M, Smith AB, van Eis M, Vangrevelinghe E, Zerwes HG, Che JJ, He X, Jin Y, Lee CC, Michellys PY, Uno T, Liu H
Bioorg Med Chem Lett 24 2278-82 (2014)
PMID: 24726806

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: 33.86 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 2X6 1 x 2X6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 8-BM
Spacegroup: P212121
Unit cell:
a: 39.889Å b: 85.161Å c: 88.961Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.175 0.202
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

Progress in Small Molecule Therapeutics for the Treatment of Retinoblastoma.
Pritchard et al. (2016)
1 more

2 mentions without citation

Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1].
Hahn et al. (2022)
1 more