› 5n4r

X-ray diffraction
2.13Å resolution

Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2-(azepan-1-yl)-1-(1H-indol-3-yl)propan-1-one

Released:
DOI: 10.2210/pdb5n4r/pdb
PDB entry 5n4r coloured by chain, front view.
PDB entry 5n4r coloured by chain, side view.
PDB entry 5n4r coloured by chain, top view.
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:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145768 (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: E
Molecule details ›
Chain: E
Length: 14 amino acids
Theoretical weight: 1.59 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand GOL 1 x GOL
Ligand 8MQ 1 x 8MQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P65
Unit cell:
a: 98.121Å b: 98.121Å c: 80.457Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.162 0.16 0.193
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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