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FHA domain from human Chk2 kinase in complex with a synthetic phosphopeptide

X-ray diffraction
2.7Å resolution
PDB entry 1gxc coloured by chain, front view.
PDB entry 1gxc coloured by chain, side view.
PDB entry 1gxc 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
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Assembly Name: Serine/threonine-protein kinase Chk2 and peptide
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Multimeric state: hetero dimer
Accessible surface area: 7094.69 Å2
Buried surface area: 1042.83 Å2
Dissociation area: 521.42 Å2
Dissociation energy (ΔGdiss): 3.91 kcal/mol
Dissociation entropy (TΔSdiss): 7.29 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132132
Assembly 2
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Assembly Name: Serine/threonine-protein kinase Chk2 and peptide
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Multimeric state: hetero dimer
Accessible surface area: 7101.15 Å2
Buried surface area: 1069.73 Å2
Dissociation area: 534.87 Å2
Dissociation energy (ΔGdiss): 4.72 kcal/mol
Dissociation entropy (TΔSdiss): 7.3 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132132
Assembly 3 (preferred)
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Assembly Name: Serine/threonine-protein kinase Chk2 and peptide
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Multimeric state: hetero dimer
Accessible surface area: 7278.93 Å2
Buried surface area: 914.67 Å2
Dissociation area: 457.34 Å2
Dissociation energy (ΔGdiss): 3.4 kcal/mol
Dissociation entropy (TΔSdiss): 7.11 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132132
Assembly 4
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Assembly Name: Serine/threonine-protein kinase Chk2 and peptide
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Multimeric state: hetero dimer
Accessible surface area: 7223.34 Å2
Buried surface area: 954.96 Å2
Dissociation area: 477.48 Å2
Dissociation energy (ΔGdiss): 2.42 kcal/mol
Dissociation entropy (TΔSdiss): 7.06 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132132

Macromolecules

Serine/threonine-protein kinase Chk2
Chains: A, D, G, J
Length: 149 amino acids
Theoretical weight: 17.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O96017 (Residues: 64-212; Coverage: 27%)
Gene names: CDS1, CHEK2, CHK2, RAD53
Pfam: FHA domain
InterPro:
CATH: Tumour Suppressor Smad4
SCOP: FHA domain
Serine/threonine-protein kinase Chk2 in PDB entry 1gxc, assembly 3, front view.
Serine/threonine-protein kinase Chk2 in PDB entry 1gxc, assembly 3, side view.
Serine/threonine-protein kinase Chk2 in PDB entry 1gxc, assembly 3, top view.
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SYNTHETIC PHOSPHOPEPTIDE
Chains: B, E, H, K
Length: 10 amino acids
Theoretical weight: 1.46 KDa
Source organism: synthetic construct
Expression system: Not provided
SYNTHETIC PHOSPHOPEPTIDE in PDB entry 1gxc, assembly 3, front view.
SYNTHETIC PHOSPHOPEPTIDE in PDB entry 1gxc, assembly 3, side view.
SYNTHETIC PHOSPHOPEPTIDE in PDB entry 1gxc, assembly 3, top view.
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