PDB entry 5u2b

View 5u2b on RCSB PDB site
Description: Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide
Class: transcription
Keywords: protein ligand complex, TRANSCRIPTION
Deposited on 2016-11-30, released 2017-04-26
The last revision prior to the SCOPe 2.06 freeze date was dated 2017-04-26, with a file datestamp of 2017-04-21.
Experiment type: XRAY
Resolution: 2.22 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Estrogen receptor
    Species: Homo sapiens [TaxId:9606]
    Gene: ESR1, ESR, NR3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03372
      • engineered mutation (239)
    Domains in SCOPe 2.06: d5u2ba_
  • Chain 'B':
    Compound: Estrogen receptor
    Species: Homo sapiens [TaxId:9606]
    Gene: ESR1, ESR, NR3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03372
      • engineered mutation (239)
    Domains in SCOPe 2.06: d5u2bb_
  • Chain 'C':
    Compound: Estrogen receptor
    Species: Homo sapiens [TaxId:9606]
    Gene: ESR1, ESR, NR3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03372
      • engineered mutation (239)
    Domains in SCOPe 2.06: d5u2bc_
  • Chain 'D':
    Compound: Estrogen receptor
    Species: Homo sapiens [TaxId:9606]
    Gene: ESR1, ESR, NR3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03372
      • engineered mutation (239)
    Domains in SCOPe 2.06: d5u2bd_
  • Chain 'E':
    Compound: Estrogen receptor
    Species: Homo sapiens [TaxId:9606]
    Gene: ESR1, ESR, NR3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03372
      • engineered mutation (239)
    Domains in SCOPe 2.06: d5u2be_
  • Chain 'F':
    Compound: Estrogen receptor
    Species: Homo sapiens [TaxId:9606]
    Gene: ESR1, ESR, NR3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03372
      • engineered mutation (239)
    Domains in SCOPe 2.06: d5u2bf_
  • Heterogens: 6WV, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5u2bA (A:)
    ikrskknslalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhm
    inwakrvpgfvdltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkc
    vegmveifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihr
    vldkitdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpls
    dlllemldahrlhapts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u2bA (A:)
    krskknslalsltadqmvsalldaeppilyseydppfseasmmglltnladrelvhminw
    akrvpgfvdltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcveg
    mveifdmllatssrfrmmnlqgeefvclksiillnsgvytfsstlksleekdhihrvldk
    itdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkclsdlllemlda
    hr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5u2bB (B:)
    ikrskknslalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhm
    inwakrvpgfvdltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkc
    vegmveifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihr
    vldkitdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpls
    dlllemldahrlhapts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u2bB (B:)
    nslalsltadqmvsalldaeppilyseydptasmmglltnladrelvhminwakrvpgfv
    dltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmveifdml
    latssrfrmmnlqgeefvclksiillnsgvykdhihrvldkitdtlihlmakagltlqqq
    hqrlaqlllilshirhmsnkgmehlysmkcknvvplsdlllemldahr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5u2bC (C:)
    ikrskknslalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhm
    inwakrvpgfvdltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkc
    vegmveifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihr
    vldkitdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpls
    dlllemldahrlhapts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u2bC (C:)
    rskknslalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhmin
    wakrvpgfvdltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcve
    gmveifdmllatssrfrmmnlqgeefvclksiillnsgvytftlksleekdhihrvldki
    tdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcvplsdlllemld
    ahrl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5u2bD (D:)
    ikrskknslalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhm
    inwakrvpgfvdltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkc
    vegmveifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihr
    vldkitdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpls
    dlllemldahrlhapts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u2bD (D:)
    nslalsltadqmvsalldaeppilyseasmmglltnladrelvhminwakrvpgfvdltl
    hdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmveifdmllats
    srfrmmnlqgeefvclksiillnsgvyeekdhihrvldkitdtlihlmakagltlqqqhq
    rlaqlllilshirhmsnkgmehlysmkckvplsdlllemldahrlh
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5u2bE (E:)
    ikrskknslalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhm
    inwakrvpgfvdltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkc
    vegmveifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihr
    vldkitdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpls
    dlllemldahrlhapts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u2bE (E:)
    lalsltadqmvsalldaeppilyseydpseasmmglltnladrelvhminwakrvpgfvd
    ltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmveifdmll
    atssrfrmmnlqgeefvclksiillnsgvytfekdhihrvldkitdtlihlmakagltlq
    qqhqrlaqlllilshirhmsnkgmehlyssdlllemldahr
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5u2bF (F:)
    ikrskknslalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhm
    inwakrvpgfvdltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkc
    vegmveifdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihr
    vldkitdtlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpls
    dlllemldahrlhapts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5u2bF (F:)
    kknslalsltadqmvsalldaeppilyssmmglltnladrelvhminwakrvpgfvdltl
    hdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmveifdmllats
    srfrmmnlqgeefvclksiillnsgtlksleekdhihrvldkitdtlihlmakagltlqq
    qhqrlaqlllilshirhmsnkgmehlysmkcklsdlllemldahr