PDB entry 3r92

View 3r92 on RCSB PDB site
Description: Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.
Class: chaperone/chaperone inhibitor
Keywords: Chaperone, ATP binding domain, ATP-binding, Nucleotide-binding, Phosphoprotein, Stress response, CHAPERONE-CHAPERONE INHIBITOR complex
Deposited on 2011-03-24, released 2011-06-08
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-06-15, with a file datestamp of 2011-06-10.
Experiment type: XRAY
Resolution: 1.58 Å
R-factor: 0.177
AEROSPACI score: 0.61 (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: HSP90A, HSP90AA1, HSPC1, HSPCA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3r92a_
  • Heterogens: 06J, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3r92A (A:)
qpmeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdpskl
dsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadism
igqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvilhl
kedqteyleerrikeivkkhsqfigypitlfvekerdkevsddeae

    Sequence, based on observed residues (ATOM records): (download) 
    >3r92A (A:)
vetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdpskldsgkel
hinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadismigqfgv
gfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvilhlkedqte
yleerrikeivkkhsqfigypitlfvek