› 3o96

X-ray diffraction
2.7Å resolution

Crystal Structure of Human AKT1 with an Allosteric Inhibitor

Released:
DOI: 10.2210/pdb3o96/pdb
PDB entry 3o96 coloured by chain, front view.
PDB entry 3o96 coloured by chain, side view.
PDB entry 3o96 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Wu WI, Voegtli WC, Sturgis HL, Dizon FP, Vigers GP, Brandhuber BJ
PLoS One 5 e12913 (2010)
PMID: 20886116

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)
Assembly name:
PDBe Complex ID:
PDB-CPX-152081 (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: 51.86 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P31749 (Residues: 2-443; Coverage: 92%)
Gene names: AKT1, PKB, RAC
Sequence domains:
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P21
Unit cell:
a: 49.31Å b: 69.94Å c: 61.85Å
α: 90° β: 100.6° γ: 90°
R-values:
R R work R free
0.249 0.245 0.308
Expression system: Trichoplusia ni

Quick links

Citations

39 review citations

Discovery of small molecule cancer drugs: successes, challenges and opportunities.
Hoelder et al. (2012)
38 more

104 mentions without citation

Exploration of type II binding mode: A privileged approach for kinase inhibitor focused drug discovery?
Zhao et al. (2014)
103 more