PDB entry 2brn

View 2brn on RCSB PDB site
Description: structure-based design of novel chk1 inhibitors: insights into hydrogen bonding and protein-ligand affinity
Class: transferase
Keywords: drug design, furanopyrimidine, molecular recognition, oncology, pyrrolopyrimidine, ATP-binding, cell cycle, DNA damage, kinase, nuclear protein, phosphorylation, polymorphism, serine/threonine-protein kinase, transferase
Deposited on 2005-05-09, released 2005-05-12
The last revision prior to the SCOPe 2.05 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.207
AEROSPACI score: 0.24 (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 2.05: d2brna_
  • Heterogens: DF1, HOH

PDB Chain Sequences:

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

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