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 SCOP 1.73 freeze date was dated 2005-06-29, with a file datestamp of 2007-06-04.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.24284
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
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2brba1
  • Heterogens: SO4, PFQ, 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