› 2oi4

X-ray diffraction
2.2Å resolution

Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole

Released:
DOI: 10.2210/pdb2oi4/pdb
PDB entry 2oi4 coloured by chain, front view.
PDB entry 2oi4 coloured by chain, side view.
PDB entry 2oi4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand.
Pagano N, Maksimoska J, Bregman H, Williams DS, Webster RD, Xue F, Meggers E
Org Biomol Chem 5 1218-27 (2007)
PMID: 17406720

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: X
Molecule details ›
Chain: X
Length: 313 amino acids
Theoretical weight: 35.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P11309 (Residues: 1-313; Coverage: 100%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand CL 1 x CL
Ligand JM1 1 x JM1
Ligand EDO 3 x EDO
Ligand EPE 1 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P65
Unit cell:
a: 98.104Å b: 98.104Å c: 80.672Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.192 0.189 0.244
Expression system: Escherichia coli BL21

Quick links

Citations

4 review citations

Targeting proteins with metal complexes.
Meggers E. (2009)
3 more

2 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)
1 more