› 4k1b

X-ray diffraction
2.08Å resolution

Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Released:
DOI: 10.2210/pdb4k1b/pdb
PDB entry 4k1b coloured by chain, front view.
PDB entry 4k1b coloured by chain, side view.
PDB entry 4k1b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Wang X, Magnuson S, Pastor R, Fan E, Hu H, Tsui V, Deng W, Murray J, Steffek M, Wallweber H, Moffat J, Drummond J, Chan G, Harstad E, Ebens AJ
Bioorg Med Chem Lett 23 3149-53 (2013)
PMID: 23623490

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)
Assembly name:
PDBe Complex ID:
PDB-CPX-145753 (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: 31.52 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P11309 (Residues: 33-305; Coverage: 87%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand PO4 1 x PO4
Ligand 1OC 1 x 1OC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P65
Unit cell:
a: 97.993Å b: 97.993Å c: 80.542Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.171 0.199
Expression system: Escherichia coli BL21

Quick links

Citations

4 review citations

Targeting the Pim kinases in multiple myeloma.
Keane et al. (2015)
3 more

3 mentions without citation

The azaindole framework in the design of kinase inhibitors.
Mérour et al. (2014)
2 more