› 8q6h

X-ray diffraction
1.94Å resolution

HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 11)

Released:
DOI: 10.2210/pdb8q6h/pdb
PDB entry 8q6h coloured by chain, front view.
PDB entry 8q6h coloured by chain, side view.
PDB entry 8q6h coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Covalent targeting of non-cysteine residues in PI4KIIIβ.
Cosgrove B, Grant EK, Bertrand S, Down KD, Somers DO, P Evans J, Tomkinson NCO, Barker MD
OpenAccess logo RSC Chem Biol 4 1111-1122 (2023)
PMID: 38033723

Function and Biology Details

Reaction catalysed: 
ATP + 1-phosphatidyl-1D-myo-inositol = ADP + 1-phosphatidyl-1D-myo-inositol 4-phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193650 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphatidylinositol 4-kinase beta Chain: A
Molecule details ›
Chain: A
Length: 424 amino acids
Theoretical weight: 48.4 KDa
Source organism: Homo sapiens
Expression system: Baculovirus expression vector pFastBac1-HM
UniProt:
  • Canonical: Q9UBF8 (Residues: 291-816; Coverage: 52%)
  • Best match: Q9UBF8-2 (Residues: 291-801)
Gene names: PI4KB, PIK4CB
Sequence domains: Phosphatidylinositol 3- and 4-kinase

Ligands and Environments

3 bound ligands:
Ligand MG 1 x MG
Ligand KI7 1 x KI7
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 58.839Å b: 67.845Å c: 107.033Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.17 0.237
Expression system: Baculovirus expression vector pFastBac1-HM

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