› 6bsk

X-ray diffraction
2.57Å resolution

Human PIM1 kinase in complex with compound 12b

Released:
DOI: 10.2210/pdb6bsk/pdb
PDB entry 6bsk coloured by chain, front view.
PDB entry 6bsk coloured by chain, side view.
PDB entry 6bsk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases.
Gingipalli L, Block MH, Bao L, Cooke E, Dakin LA, Denz CR, Ferguson AD, Johannes JW, Larsen NA, Lyne PD, Pontz TW, Wang T, Wu X, Wu A, Zhang HJ, Zheng X, Dowling JE, Lamb ML
Bioorg Med Chem Lett 28 1336-1341 (2018)
PMID: 29559278

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: 276 amino acids
Theoretical weight: 31.91 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11309 (Residues: 30-305; Coverage: 88%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand EDO 4 x EDO
Ligand MVG 1 x MVG
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P65
Unit cell:
a: 97.035Å b: 97.035Å c: 81.13Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.171 0.17 0.196
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Synthesis and Anticancer Activity of Novel Dual Inhibitors of Human Protein Kinases CK2 and PIM-1.
Wińska et al. (2023)

2 mentions without citation

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