PDB entry 4fcr

View 4fcr on RCSB PDB site
Description: Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
Class: chaperone/chaperone inhibitor
Keywords: Heat Shock Protein, Hsp90, ATPase, Fragments, Structure-based design, CHAPERONE-CHAPERONE INHIBITOR complex
Deposited on 2012-05-25, released 2012-10-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-11-07, with a file datestamp of 2012-11-02.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.187
AEROSPACI score: 0.55 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Heat shock protein HSP 90-alpha
    Species: Homo sapiens [TaxId:9606]
    Gene: HSP90AA1, HSP90A, HSPC1, HSPCA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4fcra_
  • Heterogens: 0TM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4fcrA (A:)
    mpeetqtqdqpmeeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkir
    yesltdpskldsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafme
    alqagadismigqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepm
    grgtkvilhlkedqteyleerrikeivkkhsqfigypitlfvekerdkevsddeae
    

    Sequence, based on observed residues (ATOM records): (download)
    >4fcrA (A:)
    evetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdpskldsgke
    lhinlipnkqdrtltivdtgigmtkadlinnlgtiasgtkafmealqagadismigqfgv
    gfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvilhlkedqte
    yleerrikeivkkhsqfigypitlfve