› 2xiy

X-ray diffraction
2.2Å resolution

Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen

Released:
DOI: 10.2210/pdb2xiy/pdb
PDB 2xiy coloured by chain and viewed from the front.
PDB 2xiy coloured by chain and viewed from the side.
PDB 2xiy coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
A crystallographic fragment screen identifies cinnamic acid derivatives as starting points for potent Pim-1 inhibitors.
Schulz MN, Fanghänel J, Schäfer M, Badock V, Briem H, Boemer U, Nguyen D, Husemann M, Hillig RC
Acta Crystallogr. D Biol. Crystallogr. 67 156-66 (2011)
PMID: 21358046

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)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase pim-1 Chain: A
Molecule details ›
Chain: A
Length: 301 amino acids
Theoretical weight: 34.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11309 (Residues: 14-313; Coverage: 96%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand XIY 1 x XIY
Ligand DMS 1 x DMS
Ligand CL 1 x CL
Ligand GOL 1 x GOL
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P65
Unit cell:
a: 96.987Å b: 96.987Å c: 80.87Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.17 0.201
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Targeting Pim kinases for cancer treatment: opportunities and challenges.
Le et al. (2015)
4 other articles

1 mention 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)