PDBe 5hkm

X-ray diffraction
2.1Å resolution

DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS

Released:

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein. 
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-phosphoinositide-dependent protein kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 309 amino acids
Theoretical weight: 35.43 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O15530 (Residues: 51-359; Coverage: 56%)
Gene names: PDK1, PDPK1
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P3221
Unit cell:
a: 124.47Å b: 124.47Å c: 47.13Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.228 0.19 0.273
Expression system: Spodoptera frugiperda