› 8a5x

X-ray diffraction
2.4Å resolution

Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373

Released:
DOI: 10.2210/pdb8a5x/pdb
PDB entry 8a5x coloured by chain, front view.
PDB entry 8a5x coloured by chain, side view.
PDB entry 8a5x coloured by chain, top view.
Source organisms:
Primary publication:
Structure-based design and modular synthesis of novel PI4K class II inhibitors bearing a 4-aminoquinazoline scaffold.
Misehe M, Klima M, Matoušová M, Chalupská D, Dejmek M, Šála M, Mertlíková-Kaiserová H, Boura E, Nencka R
Bioorg Med Chem Lett 129010 (2022)
PMID: 36184029

Function and Biology Details

Reactions catalysed: 
ATP + 1-phosphatidyl-1D-myo-inositol = ADP + 1-phosphatidyl-1D-myo-inositol 4-phosphate
Hydrolysis of (1->4)-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in a peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrins
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133014 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endolysin; Phosphatidylinositol 4-kinase type 2-beta Chain: A
Molecule details ›
Chain: A
Length: 514 amino acids
Theoretical weight: 59.37 KDa
Source organisms: Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8TCG2 (Residues: 90-165, 176-450; Coverage: 73%)
  • Canonical: P00720 (Residues: 2-164; Coverage: 99%)
Gene names: E, PI4K2B
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand L6A 1 x L6A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 48.383Å b: 87.007Å c: 71.376Å
α: 90° β: 107.78° γ: 90°
R-values:
R R work R free
0.212 0.21 0.231
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

A Plethora of Functions Condensed into Tiny Phospholipids: The Story of PI4P and PI(4,5)P2.
Bura et al. (2023)