PDB entry 5aav

View 5aav 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 2015-07-29, released 2015-10-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-10-12, with a file datestamp of 2016-10-07.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.33 (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 (233)
    Domains in SCOPe 2.07: d5aava1, d5aava2
  • Chain 'B':
    Compound: Estrogen receptor
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03372 (3-End)
      • engineered mutation (78)
      • engineered mutation (114)
    Domains in SCOPe 2.07: d5aavb_
  • Heterogens: GW5, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5aavA (A:)
gshmalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhminwak
rvpgfvdltlhdqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgmveifdm
llatssrfrmmnlqgeefvclksiillnsgvytfeekdhihrvldkitdtlihlmakagl
tlqqqhqrlaqlllilshirhmsnkgmehlysmvvpsydlllemldahrlha

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5aavB (B:)
gshlalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhminwak
rvpgfvdltlhdqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksvegmv
eifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihrvldki
tdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmksknvvpsydllle
mldahrlhapts

    Sequence, based on observed residues (ATOM records): (download) 
    >5aavB (B:)
lalsltadqmvsalldaeppilyserpfseasmmglltnladrelvhminwakrvpgfvd
ltlhdqvhllesawleilmiglvwrsmehpgkllfapnllldrnqgksmveifdmllats
srfrmmnlqgeefvclksiillnsgkdhihrvldkitdtlihlmakagltlqqqhqrlaq
lllilshirhmsnkgmehlyydlllemld