PDB entry 5iex

View 5iex on RCSB PDB site
Description: Crystal structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-hydroxy-1-methylpropyl]oxy}- pyrimidin-2-yl)amino]phenyl}-S-cyclopropylsulfoximide bound to CDK2
Class: transferase
Keywords: Antineoplastic Agents, Cyclin-Dependent Kinases, Dose-Response Relationship, Drug, Drug Discovery, HeLa Cells, Molecular Structure, Neoplasms, Protein Kinase Inhibitors, Pyrimidines, Structure-Activity Relationship, Structure-Kinetics Relationship, Sulfoxides, Biophysical Assays, Tumor, Humans, transferase
Deposited on 2016-02-25, released 2016-04-27
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-06-29, with a file datestamp of 2016-06-24.
Experiment type: XRAY
Resolution: 2.03 Å
R-factor: N/A
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cyclin-dependent kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: CDK2, CDKN2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5iexa_
  • Heterogens: 6AF, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5iexA (A:)
    menfqkvekigegtygvvykarnkltgevvalkkirldtetegvpstaireisllkelnh
    pnivklldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqglafchs
    hrvlhrdlkpqnllintegaikladfglarafgvpvrtythevvtlwyrapeillgckyy
    stavdiwslgcifaemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpdykpsf
    pkwarqdfskvvppldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvphlrl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5iexA (A:)
    menfqkvekigegtygvvykarnkltgevvalkkirlgvpstaireisllkelnhpnivk
    lldvihtenklylvfeflhqdlkkfmdasaltgiplpliksylfqllqglafchshrvlh
    rdlkpqnllintegaikladfglarafgvpvtlwyrapeillgckyystavdiwslgcif
    aemvtrralfpgdseidqlfrifrtlgtpdevvwpgvtsmpdykpsfpkwarqdfskvvp
    pldedgrsllsqmlhydpnkrisakaalahpffqdvtkpvphlrl