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Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin.

X-ray diffraction
2.35Å resolution
PDB entry 1unh coloured by chain, front view.
PDB entry 1unh coloured by chain, side view.
PDB entry 1unh coloured by chain, top view.
Source organism: Homo sapiens
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: Cyclin-dependent protein kinase 5 holoenzyme complex, p35 variant
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Multimeric state: hetero dimer
Accessible surface area: 19174.5 Å2
Buried surface area: 3462.47 Å2
Dissociation area: 1,415.47 Å2
Dissociation energy (ΔGdiss): 10.22 kcal/mol
Dissociation entropy (TΔSdiss): 12.32 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-169443
Complex Portal ID: CPX-3142
Assembly 2
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Assembly Name: Cyclin-dependent protein kinase 5 holoenzyme complex, p35 variant
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Multimeric state: hetero dimer
Accessible surface area: 19166.83 Å2
Buried surface area: 3406.91 Å2
Dissociation area: 1,387.38 Å2
Dissociation energy (ΔGdiss): 10.13 kcal/mol
Dissociation entropy (TΔSdiss): 12.31 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-169443
Complex Portal ID: CPX-3142

Macromolecules

Cyclin-dependent kinase 5
Chains: A, B
Length: 292 amino acids
Theoretical weight: 33.35 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q00535 (Residues: 1-292; Coverage: 100%)
Gene names: CDK5, CDKN5, PSSALRE
Pfam: Protein kinase domain
InterPro:
CATH:
SCOP: Protein kinases, catalytic subunit
Cyclin-dependent kinase 5 in PDB entry 1unh, assembly 1, front view.
Cyclin-dependent kinase 5 in PDB entry 1unh, assembly 1, side view.
Cyclin-dependent kinase 5 in PDB entry 1unh, assembly 1, top view.
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Cyclin-dependent kinase 5 activator 1, p25
Chains: D, E
Length: 208 amino acids
Theoretical weight: 23.2 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q15078 (Residues: 100-307; Coverage: 68%)
Gene names: CDK5R, CDK5R1, NCK5A
Pfam: Cyclin-dependent kinase 5 activator protein
InterPro:
CATH: Cyclin-like
SCOP: Cyclin
Cyclin-dependent kinase 5 activator 1, p25 in PDB entry 1unh, assembly 1, front view.
Cyclin-dependent kinase 5 activator 1, p25 in PDB entry 1unh, assembly 1, side view.
Cyclin-dependent kinase 5 activator 1, p25 in PDB entry 1unh, assembly 1, top view.
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