PDB entry 3k5u

View 3k5u on RCSB PDB site
Description: Identification, SAR Studies and X-ray Cocrystal Analysis of a Novel Furano-pyrimidine Aurora Kinase A Inhibitor
Class: Transferase
Keywords: Aurora kinase inhibitors, Virtual screening, X-ray co-crystal analysis, Structure-based drug design (SBDD), H-bonding, ATP-binding site, Cell cycle, Cytoskeleton, Kinase, Nucleotide-binding, Phosphoprotein, Serine/threonine-protein kinase, Transferase
Deposited on 2009-10-08, released 2010-10-13
The last revision prior to the SCOPe 2.06 freeze date was dated 2010-10-13, with a file datestamp of 2010-10-08.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: 0.242
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: serine/threonine-protein kinase 6
    Species: Homo sapiens [TaxId:9606]
    Gene: AURKA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3k5ua_
  • Heterogens: PFQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3k5uA (A:)
    skkrqwaledfeigrplgkgkfgnvylarekqskfilalkvlfkaqlekagvehqlrrev
    eiqshlrhpnilrlygyfhdatrvylileyaplgtvyrelqklskfdeqrtatyitelan
    alsychskrvihrdikpenlllgsagelkiadfgwsvhapssrrtdlcgtldylppemie
    grmhdekvdlwslgvlcyeflvgkppfeantyqetykrisrveftfpdfvtegardlisr
    llkhnpsqrpmlrevlehpwitansskpsncqnkesask
    

    Sequence, based on observed residues (ATOM records): (download)
    >3k5uA (A:)
    rqwaledfeigrplgkgkfgnvylarekqskfilalkvlfkaqlekagvehqlrreveiq
    shlrhpnilrlygyfhdatrvylileyaplgtvyrelqklskfdeqrtatyitelanals
    ychskrvihrdikpenlllgsagelkiadfgwsvhcgtldylppemiegrmhdekvdlws
    lgvlcyeflvgkppfeantyqetykrisrveftfpdfvtegardlisrllkhnpsqrpml
    revlehpwitansskpsncq