› 4gw8

X-ray diffraction
2Å resolution

Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41

Released:
DOI: 10.2210/pdb4gw8/pdb
PDB entry 4gw8 coloured by chain, front view.
PDB entry 4gw8 coloured by chain, side view.
PDB entry 4gw8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B.
Tahtouh T, Elkins JM, Filippakopoulos P, Soundararajan M, Burgy G, Durieu E, Cochet C, Schmid RS, Lo DC, Delhommel F, Oberholzer AE, Pearl LH, Carreaux F, Bazureau JP, Knapp S, Meijer L
J Med Chem 55 9312-30 (2012)
PMID: 22998443

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-145763 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine/threonine-protein kinase pim-1 Chain: A
Molecule details ›
Chain: A
Length: 313 amino acids
Theoretical weight: 35.59 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P11309 (Residues: 1-312; Coverage: 100%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:
Consensus peptide (Pimtide) 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 3RA 1 x 3RA
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P65
Unit cell:
a: 98.006Å b: 98.006Å c: 80.497Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.178 0.176 0.213
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

17 review citations

DYRK1A, a Dosage-Sensitive Gene Involved in Neurodevelopmental Disorders, Is a Target for Drug Development in Down Syndrome.
Duchon et al. (2016)
16 more

1 mention 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)