› 5kzi

X-ray diffraction
2.1Å resolution

Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.

Released:
DOI: 10.2210/pdb5kzi/pdb
PDB entry 5kzi coloured by chain, front view.
PDB entry 5kzi coloured by chain, side view.
PDB entry 5kzi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.
Wurz RP, Sastri C, D'Amico DC, Herberich B, Jackson CLM, Pettus LH, Tasker AS, Wu B, Guerrero N, Lipford JR, Winston JT, Yang Y, Wang P, Nguyen Y, Andrews KL, Huang X, Lee MR, Mohr C, Zhang JD, Reid DL, Xu Y, Zhou Y, Wang HL
Bioorg Med Chem Lett 26 5580-5590 (2016)
PMID: 27769621

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: 286 amino acids
Theoretical weight: 33.06 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11309 (Residues: 33-305; Coverage: 87%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 6YN 1 x 6YN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P65
Unit cell:
a: 95.998Å b: 95.998Å c: 81.251Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.18 0.178 0.205
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Protein kinase PIM2: A simple PIM family kinase with complex functions in cancer metabolism and therapeutics.
Wang et al. (2021)
1 more

4 mentions without citation

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