› 4eny

X-ray diffraction
2.8Å resolution

Crystal Structure of Pim-1 kinase in complex with (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-methoxybenzylidene)thiazolidin-4-one

Released:
DOI: 10.2210/pdb4eny/pdb
PDB entry 4eny coloured by chain, front view.
PDB entry 4eny coloured by chain, side view.
PDB entry 4eny coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor.
Parker LJ, Watanabe H, Tsuganezawa K, Tomabechi Y, Handa N, Shirouzu M, Yuki H, Honma T, Ogawa N, Nagano T, Yokoyama S, Tanaka A
Acta Crystallogr Sect F Struct Biol Cryst Commun 68 860-6 (2012)
PMID: 22869110

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)
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: 298 amino acids
Theoretical weight: 34.19 KDa
Source organism: Homo sapiens
Expression system: cell-free protein synthesis
UniProt:
  • Canonical: P11309 (Residues: 29-313; Coverage: 91%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand DMS 1 x DMS
Ligand GOL 1 x GOL
Ligand PO4 1 x PO4
Ligand J19 1 x J19
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P65
Unit cell:
a: 96.765Å b: 96.765Å c: 80.963Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.175 0.173 0.224
Expression system: cell-free protein synthesis

Quick links

Citations

1 review citation

Insights from Pim1 structure for anti-cancer drug design.
Ogawa et al. (2012)
7 other articles

4 mentions without citation

The Development of CK2 Inhibitors: From Traditional Pharmacology to in Silico Rational Drug Design.
Cozza G. (2017)
3 more