PDB entry 4fcp

View 4fcp on RCSB PDB site
Description: Targetting 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
Keywords: Hsp90, Heat Shock Protein, ATPase, Structure-based ligand design, fragment structural studies, CHAPERONE
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: 2 Å
R-factor: 0.242
AEROSPACI score: 0.37 (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: d4fcpa_
  • Chain 'B':
    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: d4fcpb_
  • Heterogens: 42C, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4fcpA (A:)
    evetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdpskldsgke
    lhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadismigqfg
    vgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvilhlkedqt
    eyleerrikeivkkhsqfigypitlfve
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4fcpB (B:)
    evetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdpskldsgke
    lhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadismigqfg
    vgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvilhlkedqt
    eyleerrikeivkkhsqfigypitlfve