› 6gu2

X-ray diffraction
2Å resolution

CDK1/CyclinB/Cks2 in complex with Flavopiridol

Released:
DOI: 10.2210/pdb6gu2/pdb
PDB entry 6gu2 coloured by chain, front view.
PDB entry 6gu2 coloured by chain, side view.
PDB entry 6gu2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Wood DJ, Korolchuk S, Tatum NJ, Wang LZ, Endicott JA, Noble MEM, Martin MP
Cell Chem Biol 26 121-130.e5 (2019)
PMID: 30472117

Function and Biology Details

Reactions catalysed: 
ATP + a protein = ADP + a phosphoprotein
ATP + [DNA-directed RNA polymerase] = ADP + [DNA-directed RNA polymerase] phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-125641 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Cyclin-dependent kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 302 amino acids
Theoretical weight: 34.55 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P06493 (Residues: 1-297; Coverage: 100%)
Gene names: CDC2, CDC28A, CDK1, CDKN1, P34CDC2
Sequence domains: Protein kinase domain
Structure domains:
G2/mitotic-specific cyclin-B1 Chain: B
Molecule details ›
Chain: B
Length: 273 amino acids
Theoretical weight: 31.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P14635 (Residues: 165-433; Coverage: 62%)
Gene names: CCNB, CCNB1
Sequence domains:
Structure domains: Cyclin-like
Cyclin-dependent kinases regulatory subunit Chain: C
Molecule details ›
Chain: C
Length: 84 amino acids
Theoretical weight: 10.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: K9J4F7 (Residues: 11-89; Coverage: 89%)
Sequence domains: Cyclin-dependent kinase regulatory subunit
Structure domains: Cyclin-dependent kinase, regulatory subunit

Ligands and Environments

1 bound ligand:
Ligand F9Z 1 x F9Z
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Unit cell:
a: 78.132Å b: 53.782Å c: 180.213Å
α: 90° β: 98.26° γ: 90°
R-values:
R R work R free
0.192 0.189 0.239
Expression systems:
  • Spodoptera frugiperda
  • Escherichia coli BL21(DE3)
  • Escherichia coli

Quick links

Citations

2 review citations

Cell cycle on the crossroad of tumorigenesis and cancer therapy.
Liu et al. (2022)
1 more

17 mentions without citation

Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Wood et al. (2019)
16 more