› 3cxw

X-ray diffraction
2.1Å resolution

Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I

Released:
DOI: 10.2210/pdb3cxw/pdb
PDB entry 3cxw coloured by chain, front view.
PDB entry 3cxw coloured by chain, side view.
PDB entry 3cxw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
7,8-dichloro-1-oxo-β-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
Huber K, Brault L, Fedorov O, Gasser C, Filippakopoulos P, Bullock AN, Fabbro D, Trappe J, Schwaller J, Knapp S, Bracher F
J Med Chem 55 403-13 (2012)
PMID: 22136433

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145757 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine/threonine-protein kinase pim-1 Chain: A
Molecule details ›
Chain: A
Length: 314 amino acids
Theoretical weight: 35.72 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11309 (Residues: 1-313; Coverage: 100%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:
Pimtide peptide Chain: B
Molecule details ›
Chain: B
Length: 14 amino acids
Theoretical weight: 1.59 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand CL 1 x CL
Ligand 7CP 1 x 7CP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P65
Unit cell:
a: 98.371Å b: 98.371Å c: 81.332Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.166 0.164 0.206
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

2 review citations

Death-associated protein kinase (DAPK) family modulators: Current and future therapeutic outcomes.
Farag et al. (2019)
1 more

5 mentions without citation

PIM serine/threonine kinases in the pathogenesis and therapy of hematologic malignancies and solid cancers.
Brault et al. (2010)
4 more