PDB entry 2c3l

View 2c3l on RCSB PDB site
Description: identification of a buried pocket for potent and selective inhibition of chk1: prediction and verification
Class: transferase
Keywords: drug design, molecular modeling, molecular recognition, oncology, ATP-binding, cell cycle, DNA damage, DNA repair, kinase, nuclear protein, nucleotide-binding, phosphorylation, polymorphism, serine/threonine-protein kinase, transferase, ubl conjugation
Deposited on 2005-10-10, released 2005-11-23
The last revision prior to the SCOPe 2.04 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: 0.189
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 2.04: d2c3la_
  • Heterogens: IDZ, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2c3lA (A:)
    mavpfvedwdlvqtlgegaygevqlavnrvteeavavkivdmkravdcpenikkeicink
    mlnhenvvkfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvy
    lhgigithrdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellk
    rrefhaepvdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsapla
    llhkilvenpsaritipdikkdrwynkplkkgakrprvtsggvsespsghhhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2c3lA (A:)
    avpfvedwdlvqtlgegaygevqlavnrvteeavavkivdmkrikkeicinkmlnhenvv
    kfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvylhgigith
    rdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellkrrefhaep
    vdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsaplallhkilve
    npsaritipdikkdrwynkplkkga