4bda

X-ray diffraction
2.6Å resolution

Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)

Released:
Source organism: Homo sapiens
Entry authors: Silva-Santisteban MC, Westwood IM, Boxall K, Brown N, Peacock S, McAndrew C, Barrie E, Richards M, Mirza A, Oliver AW, Burke R, Hoelder S, Jones K, Aherne GW, Blagg J, Collins I, Garrett MD, van Montfort RLM

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase Chk2 Chain: A
Molecule details ›
Chain: A
Length: 329 amino acids
Theoretical weight: 37.11 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O96017 (Residues: 210-531; Coverage: 59%)
Gene names: CDS1, CHEK2, CHK2, RAD53
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P3221
Unit cell:
a: 91.13Å b: 91.13Å c: 93.11Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.183 0.18 0.236
Expression system: Escherichia coli BL21(DE3)