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Crystal structure of Pim1 kinase in complex with inhibitor 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one

X-ray diffraction
2.4Å resolution
PDB entry 4jx7 coloured by chain, front view.
PDB entry 4jx7 coloured by chain, side view.
PDB entry 4jx7 coloured by chain, top view.
Source organisms:
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Serine/threonine-protein kinase pim-1 and peptide
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Multimeric state: hetero dimer
Accessible surface area: 13450.63 Å2
Buried surface area: 849.75 Å2
Dissociation area: 424.87 Å2
Dissociation energy (ΔGdiss): -2.68 kcal/mol
Dissociation entropy (TΔSdiss): 6.37 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145764

Macromolecules

Serine/threonine-protein kinase pim-1
Chain: A
Length: 326 amino acids
Theoretical weight: 37.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P11309 (Residues: 1-313; Coverage: 100%)
Gene name: PIM1
Pfam: Protein kinase domain
InterPro:
CATH:
Serine/threonine-protein kinase pim-1 in PDB entry 4jx7, assembly 1, front view.
Serine/threonine-protein kinase pim-1 in PDB entry 4jx7, assembly 1, side view.
Serine/threonine-protein kinase pim-1 in PDB entry 4jx7, assembly 1, top view.
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PIM1 consensus peptide
Chain: B
Length: 14 amino acids
Theoretical weight: 1.59 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
PIM1 consensus peptide in PDB entry 4jx7, assembly 1, front view.
PIM1 consensus peptide in PDB entry 4jx7, assembly 1, side view.
PIM1 consensus peptide in PDB entry 4jx7, assembly 1, top view.
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