Structure analysis

Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening

X-ray diffraction
2.5Å resolution
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: monomeric
Accessible surface area: 12838.46 Å2
Buried surface area: 704.72 Å2
Dissociation area: 352.36 Å2
Dissociation energy (ΔGdiss): 2.26 kcal/mol
Dissociation entropy (TΔSdiss): 4.57 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-127093

Macromolecules

Chain: A
Length: 297 amino acids
Theoretical weight: 34.15 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O14757 (Residues: 1-293; Coverage: 62%)
Gene names: CHEK1, CHK1
Pfam: Protein kinase domain
InterPro:
CATH:
SCOP: Protein kinases, catalytic subunit

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