5n4n

X-ray diffraction
2.09Å resolution

Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-dimethyl-5-(1H-1,2,4-triazol-3-yl)thiophene-2-carbonitrile

Released:
Source organism: Homo sapiens
Entry authors: Siefker C, Heine A, Klebe G

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
hetero dimer (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: 35.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P11309 (Residues: 1-313; Coverage: 100%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:
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

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P65
Unit cell:
a: 98.517Å b: 98.517Å c: 80.319Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.16 0.159 0.188
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided