› 3we8

X-ray diffraction
1.95Å resolution

Pim-1 kinase in complex with Ruthenium-based inhibitor

Released:
DOI: 10.2210/pdb3we8/pdb
PDB entry 3we8 coloured by chain, front view.
PDB entry 3we8 coloured by chain, side view.
PDB entry 3we8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Non-ATP-Mimetic Organometallic Protein Kinase Inhibitor.
Wähler K, Kräling K, Steuber H, Meggers E
ChemistryOpen 2 180-5 (2013)
PMID: 24551564

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: 273 amino acids
Theoretical weight: 31.42 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

2 bound ligands:
Ligand RUI 1 x RUI
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P65
Unit cell:
a: 97.73Å b: 97.73Å c: 81.19Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.16 0.151 0.177
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Metal complexes as structural templates for targeting proteins.
Dörr et al. (2014)
3 other articles

1 mention without citation

Non-ATP-Mimetic Organometallic Protein Kinase Inhibitor.
Wähler et al. (2013)