PDB entry 3r4m

View 3r4m on RCSB PDB site
Description: Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
Class: Chaperone/Chaperone inhibitor
Keywords: Chaperone, ATP binding, Chaperone-Chaperone inhibitor complex
Deposited on 2011-03-17, released 2011-04-27
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-04-11, with a file datestamp of 2012-04-06.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.196
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: d3r4ma_
  • Heterogens: WOE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3r4mA (A:)
    dqpmeeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdps
    kldsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadi
    smigqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvil
    hlkedqteyleerrikeivkkhsqfigypitlfvekerdkevsddeae
    

    Sequence, based on observed residues (ATOM records): (download)
    >3r4mA (A:)
    pmeeeevetfafqaeiaqlmsliintfysnkeiflrelisnssdaldkiryesltdpskl
    dsgkelhinlipnkqdrtltivdtgigmtkadlinnlgtiaksgtkafmealqagadism
    igqfgvgfysaylvaekvtvitkhnddeqyawessaggsftvrtdtgepmgrgtkvilhl
    kedqteyleerrikeivkkhsqfigypitlfveke