› 2b55

X-ray diffraction
1.85Å resolution

Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312

Released:
DOI: 10.2210/pdb2b55/pdb
PDB entry 2b55 coloured by chain, front view.
PDB entry 2b55 coloured by chain, side view.
PDB entry 2b55 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. 3. Structure activity relationships at C3(1,2).
Yue EW, Higley CA, DiMeo SV, Carini DJ, Nugiel DA, Benware C, Benfield PA, Burton CR, Cox S, Grafstrom RH, Sharp DM, Sisk LM, Boylan JF, Muckelbauer JK, Smallwood AM, Chen H, Chang CH, Seitz SP, Trainor GL
J Med Chem 45 5233-48 (2002)
PMID: 12431051

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150313 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclin-dependent kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 33.98 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
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand D31 1 x D31
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 5ID-B
Spacegroup: P212121
Unit cell:
a: 71.98Å b: 72.2Å c: 53.52Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.213 0.256
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Indane-1,3-Dione: From Synthetic Strategies to Applications.
Pigot et al. (2022)
14 other articles

1 mention without citation

Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors.
Barlaam et al. (2013)