› 2c3i

X-ray diffraction
1.9Å resolution

CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I

Released:
DOI: 10.2210/pdb2c3i/pdb
PDB entry 2c3i coloured by chain, front view.
PDB entry 2c3i coloured by chain, side view.
PDB entry 2c3i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity.
Pogacic V, Bullock AN, Fedorov O, Filippakopoulos P, Gasser C, Biondi A, Meyer-Monard S, Knapp S, Schwaller J
Cancer Res 67 6916-24 (2007)
PMID: 17638903

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-145756 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
PIMTIDE Chain: A
Molecule details ›
Chain: A
Length: 8 amino acids
Theoretical weight: 998 Da
Source organism: Homo sapiens
Expression system: Not provided
Serine/threonine-protein kinase pim-1 Chain: B
Molecule details ›
Chain: B
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

1 bound ligand:
Ligand IYZ 1 x IYZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P65
Unit cell:
a: 98.439Å b: 98.439Å c: 80.843Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.187 0.185 0.219
Expression systems:
  • Not provided
  • Escherichia coli BL21

Quick links

Citations

22 review citations

PI3K and cancer: lessons, challenges and opportunities.
Fruman et al. (2014)
21 more

20 mentions without citation

The scientific impact of the Structural Genomics Consortium: a protein family and ligand-centered approach to medically-relevant human proteins.
Gileadi et al. (2007)
19 more