PDB entry 2cgu

View 2cgu on RCSB PDB site
Description: identification of chemically diverse chk1 inhibitors by receptor-based virtual screening
Class: transferase
Keywords: transferase, 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, ubl conjugation
Deposited on 2006-03-09, released 2006-04-05
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.185
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine/threonine-protein kinase Chk1
    Species: Homo sapiens [TaxId:9606]
    Gene:
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2cgua_
  • Heterogens: 3A3, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >2cguA (A:)
    vedwdlvqtlgegaygevqlavnrvteeavavkivdmkrcpenikkeicinkmlnhenvv
    kfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvylhgigith
    rdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellkrrefhaep
    vdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsaplallhkilve
    npsaritipdikkdrwynkplkk