› 8vq3

X-ray diffraction
1.84Å resolution

CDK2-CyclinE1 in complex with allosteric inhibitor I-198.

Released:
DOI: 10.2210/pdb8vq3/pdb
PDB entry 8vq3 coloured by chain, front view.
PDB entry 8vq3 coloured by chain, side view.
PDB entry 8vq3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Zhang Y, Liu Z, Hirschi M, Brodsky O, Johnson E, Won SJ, Nagata A, Bezwada D, Petroski MD, Majmudar JD, Niessen S, VanArsdale T, Gilbert AM, Hayward MM, Stewart AE, Nager AR, Melillo B, Cravatt BF
Nat Chem Biol (2024)
PMID: 39294320

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150301 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Cyclin-dependent kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 34.06 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P24941 (Residues: 1-298; Coverage: 100%)
Gene names: CDK2, CDKN2
Sequence domains: Protein kinase domain
G1/S-specific cyclin-E1 Chain: B
Molecule details ›
Chain: B
Length: 285 amino acids
Theoretical weight: 33.05 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P24864 (Residues: 96-378; Coverage: 69%)
Gene names: CCNE, CCNE1
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand A1AC4 1 x A1AC4
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P41212
Unit cell:
a: 101.388Å b: 101.388Å c: 151.613Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.199 0.217
Expression system: Spodoptera frugiperda

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