PDB entry 2c3j

View 2c3j 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, transferase, cell cycle, DNA damage, DNA repair, ATP-binding, kinase, nuclear protein, nucleotide-binding, phosphorylation, polymorphism, serine/threonine-protein kinase, ubl conjugation
Deposited on 2005-10-10, released 2005-11-23
The last revision prior to the SCOP 1.73 freeze date was dated 2006-02-15, with a file datestamp of 2007-06-28.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.1863
AEROSPACI score: 0.4 (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: d2c3ja1
  • Heterogens: SO3, DBQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2c3jA (A:)
    mavpfvedwdlvqtlgegaygevqlavnrvteeavavkivdmkravdcpenikkeicink
    mlnhenvvkfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvy
    lhgigithrdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellk
    rrefhaepvdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsapla
    llhkilvenpsaritipdikkdrwynkplkkgakrprvtsggvsespsghhhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2c3jA (A:)
    vedwdlvqtlgegevqlavnrvteeavavkivdmkrenikkeicinkmlnhenvvkfygh
    rregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvylhgigithrdikp
    enlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellkrrefhaepvdvws
    cgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsaplallhkilvenpsar
    itipdikkdrwynkplk