PDBe 1nvs

X-ray diffraction
1.8Å resolution

The Complex Structure Of Checkpoint Kinase Chk1/SB218078

Released:
Primary publication:
Structural basis for Chk1 inhibition by UCN-01.
J. Biol. Chem. 277 46609-15 (2002)
PMID: 12244092

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptide ASVSA Chain: B
Molecule details ›
Chain: B
Length: 5 amino acids
Theoretical weight: 433 Da
Source organism: Synthetic construct
Expression system: Not provided
Serine/threonine-protein kinase Chk1 Chain: A
Molecule details ›
Chain: A
Length: 289 amino acids
Theoretical weight: 33.04 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: O14757 (Residues: 1-289; Coverage: 61%)
Gene names: CHEK1, CHK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 45.032Å b: 65.897Å c: 58.156Å
α: 90° β: 94.21° γ: 90°
R-values:
R R work R free
0.232 0.232 0.255
Expression systems:
  • Not provided
  • unidentified baculovirus