› 5toe

X-ray diffraction
2.3Å resolution

Pim-1 kinase in complex with a 7-azaindole

Released:
DOI: 10.2210/pdb5toe/pdb
PDB entry 5toe coloured by chain, front view.
PDB entry 5toe coloured by chain, side view.
PDB entry 5toe coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Barberis C, Moorcroft N, Arendt C, Levit M, Moreno-Mazza S, Batchelor J, Mechin I, Majid T
Bioorg Med Chem Lett 27 4730-4734 (2017)
PMID: 28947155

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase pim-1 Chain: A
Molecule details ›
Chain: A
Length: 273 amino acids
Theoretical weight: 31.51 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11309 (Residues: 34-306; Coverage: 87%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 7GK 1 x 7GK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P65
Unit cell:
a: 97.246Å b: 97.246Å c: 81.081Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.189 0.233
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

A review on PIM kinases in tumors.
Arrouchi et al. (2019)
4 more

1 mention without citation

Chemical space exploration based on recurrent neural networks: applications in discovering kinase inhibitors.
Li et al. (2020)