PDB entry 2brb

View 2brb 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, transferase
Deposited on 2005-05-04, released 2005-05-12
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.243
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine/threonine-protein kinase Chk1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d2brba_
  • Heterogens: PFQ, SO4, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >2brbA (A:)
    avpfvedwdlvqtlgegaygevqlavnrvteeavavkivdmkrcpenikkeicinkmlnh
    envvkfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvylhgi
    githrdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellkrref
    haepvdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsaplallhk
    ilvenpsaritipdikkdrwynkplkkgakrp