PDB entry 2cgw

View 2cgw on RCSB PDB site
Description: identification of chemically diverse chk1 inhibitors by receptor-based virtual screening
Class: transferase
Keywords: docking, drug design, oncology, virtual screening, ATP-binding, cell cycle, DNA damage, DNA repair, kinase, nuclear protein, nucleotide-binding, phosphorylation, polymorphism, serine/threonine-protein kinase, transferase, ubl conjugation
Deposited on 2006-03-09, released 2006-04-05
The last revision prior to the SCOP 1.73 freeze date was dated 2006-05-31, with a file datestamp of 2007-06-28.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.18894
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine/threonine-protein kinase Chk1
    Species: HOMO SAPIENS
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2cgwa1
  • Heterogens: 3C3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2cgwA (A:)
    mavpfvedwdlvqtlgegaygevqlavnrvteeavavkivdmkravdcpenikkeicink
    mlnhenvvkfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvy
    lhgigithrdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellk
    rrefhaepvdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsapla
    llhkilvenpsaritipdikkdrwynkplkkgakrprvtsggvsespsghhhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2cgwA (A:)
    vedwdlvqtlgegaygevqlavnrvteeavavkivdmkrpenikkeicinkmlnhenvvk
    fyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvylhgigithr
    dikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellkrrefhaepv
    dvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsaplallhkilven
    psaritipdikkdrwynkplkk