› 4jx7

X-ray diffraction
2.4Å resolution

Crystal structure of Pim1 kinase in complex with inhibitor 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one

Released:
DOI: 10.2210/pdb4jx7/pdb
PDB entry 4jx7 coloured by chain, front view.
PDB entry 4jx7 coloured by chain, side view.
PDB entry 4jx7 coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode.
Lee SJ, Han BG, Cho JW, Choi JS, Lee J, Song HJ, Koh JS, Lee BI
PLoS One 8 e70358 (2013)
PMID: 23936194

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145764 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine/threonine-protein kinase pim-1 Chain: A
Molecule details ›
Chain: A
Length: 326 amino acids
Theoretical weight: 37.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P11309 (Residues: 1-313; Coverage: 100%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:
PIM1 consensus peptide Chain: B
Molecule details ›
Chain: B
Length: 14 amino acids
Theoretical weight: 1.59 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli

Ligands and Environments

1 bound ligand:
Ligand 1N6 1 x 1N6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 6C1
Spacegroup: P65
Unit cell:
a: 97.657Å b: 97.657Å c: 81.106Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.193 0.191 0.228
Expression systems:
  • Escherichia coli BL21(DE3)
  • Escherichia coli

Quick links

Citations

2 review citations

Targeting Pim kinases for cancer treatment: opportunities and challenges.
Le et al. (2015)
1 more

3 mentions without citation

Identification of the first inhibitor of the GBP1:PIM1 interaction. Implications for the development of a new class of anticancer agents against paclitaxel resistant cancer cells.
Andreoli et al. (2014)
2 more