› 6hhi

X-ray diffraction
2.7Å resolution

Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b

Released:
DOI: 10.2210/pdb6hhi/pdb
PDB 6hhi coloured by chain and viewed from the front.
PDB 6hhi coloured by chain and viewed from the side.
PDB 6hhi coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Uhlenbrock N, Smith S, Weisner J, Landel I, Lindemann M, Le TA, Hardick J, Gontla R, Scheinpflug R, Czodrowski P, Janning P, Depta L, Quambusch L, Müller MP, Engels B, Rauh D
OpenAccess logo Chem Sci 10 3573-3585 (2019)
PMID: 30996949

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
RAC-alpha serine/threonine-protein kinase Chain: A
Molecule details ›
Chain: A
Length: 446 amino acids
Theoretical weight: 51.75 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P31749 (Residues: 2-446; Coverage: 93%)
Gene names: AKT1, PKB, RAC
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand G4N 1 x G4N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 70.17Å b: 70.96Å c: 91.11Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.228 0.258
Expression system: Spodoptera frugiperda

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Citations

11 citation in other articles

Spotlight on AKT: Current Therapeutic Challenges.
Landel et al. (2020)
10 more