› 3vf9

X-ray diffraction
2.3Å resolution

Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027

Released:
DOI: 10.2210/pdb3vf9/pdb
PDB entry 3vf9 coloured by chain, front view.
PDB entry 3vf9 coloured by chain, side view.
PDB entry 3vf9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
McLean LR, Zhang Y, Zaidi N, Bi X, Wang R, Dharanipragada R, Jurcak JG, Gillespy TA, Zhao Z, Musick KY, Choi YM, Barrague M, Peppard J, Smicker M, Duguid M, Parkar A, Fordham J, Kominos D
Bioorg Med Chem Lett 22 3296-300 (2012)
PMID: 22464456

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: 299 amino acids
Theoretical weight: 34.88 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P43405 (Residues: 343-635; Coverage: 46%)
Gene name: SYK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 477 1 x 477
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P212121
Unit cell:
a: 39.813Å b: 84.739Å c: 90.184Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.255 0.254 0.267
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Inhibitors of BTK and ITK: state of the new drugs for cancer, autoimmunity and inflammatory diseases.
Vargas et al. (2013)
3 more

1 mention without citation

Flavanomarein inhibits high glucose-stimulated epithelial-mesenchymal transition in HK-2 cells via targeting spleen tyrosine kinase.
Zhang et al. (2020)