PDB entry 5aau

View 5aau on RCSB PDB site
Description: Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
Class: signaling protein
Keywords: signaling protein, breast cancer, estrogen receptor downregulator, fulvestrant, azd9496, nuclear hormone receptor
Deposited on 2015-07-28, released 2015-10-14
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-11-04, with a file datestamp of 2015-10-30.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: N/A
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Estrogen receptor
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03372 (4-End)
      • expression tag (0-3)
      • engineered mutation (78)
      • engineered mutation (114)
      • engineered mutation (233)
    Domains in SCOPe 2.06: d5aaua1, d5aaua2
  • Chain 'B':
    Compound: Estrogen receptor
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03372
      • engineered mutation (78)
      • engineered mutation (114)
      • engineered mutation (233)
    Domains in SCOPe 2.06: d5aaub_
  • Heterogens: XBR, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5aauA (A:)
    gshmalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhminwak
    rvpgfvdltlhdqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksvegmv
    eifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihrvldki
    tdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpsydllle
    mldahrlhapts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5aauA (A:)
    gshmalsltadqmvsalldaeppilyseysmmglltnladrelvhminwakrvpgfvdlt
    lhdqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksvegmveifdmllat
    ssrfrmmnlqgeefvclksiillnsgvytfeekdhihrvldkitdtlihlmakagltlqq
    qhqrlaqlllilshirhmsnkgmehlysmvvpsydlllemldahrlhap
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5aauB (B:)
    gshmalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhminwak
    rvpgfvdltlhdqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksvegmv
    eifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihrvldki
    tdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpsydllle
    mldahrlhapts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5aauB (B:)
    ltadqmvsalldaeppilyseypfseasmmglltnladrelvhminwakrvpgfvdltlh
    dqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksvegmveifdmllatss
    rfrmmnlqgeefvclksiillnsgvytflsekdhihrvldkitdtlihlmakagltlqqq
    hqrlaqlllilshirhmsnkgmehlysmvvpsydlllemlda