› 5kcx

X-ray diffraction
2.2Å resolution

Pim-1 kinase in Complex with a Selective N-substituted 7-azaindole Inhibitor

Released:
DOI: 10.2210/pdb5kcx/pdb
PDB 5kcx coloured by chain and viewed from the front.
PDB 5kcx coloured by chain and viewed from the side.
PDB 5kcx coloured by chain and viewed from the top.
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:
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: 291 amino acids
Theoretical weight: 33.62 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11309 (Residues: 29-313; Coverage: 91%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand IMD 1 x IMD
Ligand ACT 1 x ACT
Ligand 6S3 1 x 6S3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P65
Unit cell:
a: 98.01Å b: 98.01Å c: 80.67Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.19 0.211
Expression system: Escherichia coli

Quick links

Citations

3 citation in other articles

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