› 3cy3

X-ray diffraction
2.15Å resolution

Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V

Released:
DOI: 10.2210/pdb3cy3/pdb
PDB entry 3cy3 coloured by chain, front view.
PDB entry 3cy3 coloured by chain, side view.
PDB entry 3cy3 coloured by chain, top view.
Source organisms:
Entry authors: Filippakopoulos P, Bullock A, Fedorov O, Pike ACW, von Delft F, Arrowsmith CH, Edwards AM, Bountra C, Knapp S, Structural Genomics Consortium (SGC)

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-145759 (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: 35.8 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: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand EDO 1 x EDO
Ligand JN5 1 x JN5
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P65
Unit cell:
a: 98.239Å b: 98.239Å c: 80.723Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.165 0.163 0.205
Expression systems:
  • Escherichia coli
  • Not provided

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