› 4a7c

X-ray diffraction
2.3Å resolution

Crystal structure of PIM1 kinase with ETP46546

Released:
DOI: 10.2210/pdb4a7c/pdb
PDB entry 4a7c coloured by chain, front view.
PDB entry 4a7c coloured by chain, side view.
PDB entry 4a7c coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Hit to lead evaluation of 1,2,3-triazolo[4,5-b]pyridines as PIM kinase inhibitors.
Pastor J, Oyarzabal J, Saluste G, Alvarez RM, Rivero V, Ramos F, Cendón E, Blanco-Aparicio C, Ajenjo N, Cebriá A, Albarrán MI, Cebrián D, Corrionero A, Fominaya J, Montoya G, Mazzorana M
Bioorg Med Chem Lett 22 1591-7 (2012)
PMID: 22266039

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: 308 amino acids
Theoretical weight: 35.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P11309 (Residues: 30-313; Coverage: 91%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand E46 1 x E46
Ligand IMD 1 x IMD
Ligand ACT 1 x ACT
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P65
Unit cell:
a: 99.355Å b: 99.355Å c: 81.119Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.171 0.169 0.207
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

The PIM family of serine/threonine kinases in cancer.
Narlik-Grassow et al. (2014)
2 more

7 mentions without citation

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