PDB entry 5kce

View 5kce on RCSB PDB site
Description: crystal structure of the er-alpha ligand-binding domain (y537s) in complex with an n-methyl, 2-chlorobenzyl obhs-n derivative
Deposited on 2016-06-06, released 2016-11-16
The last revision was dated 2016-12-28, with a file datestamp of 2016-12-22.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: N/A
AEROSPACI score: 0.36 (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)
  • 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)
  • Chain 'C':
    Compound: nuclear receptor coactivator 2
    Species: HOMO SAPIENS, synthetic [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
  • Chain 'D':
    Compound: nuclear receptor coactivator 2
    Species: HOMO SAPIENS, synthetic [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
  • Heterogens: OB3, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.07, so the chain sequences below are not included in the ASTRAL sequence sets.

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

    Sequence, based on observed residues (ATOM records):
    >5kceA (A:)
    knslalsltadqmvsalldaeppilyseysmmglltnladrelvhminwakrvpgfvdlt
    lhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmveifdmllat
    ssrfrmmnlqgeefvclksiillnsgdhihrvldkitdtlihlmakagltlqqqhqrlaq
    lllilshirhmsnkgmehlysmkcknvvplsdlllemldahrl
    

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

    Sequence, based on observed residues (ATOM records):
    >5kceB (B:)
    slalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhminwakrv
    pgfvdltlhdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmvei
    fdmllatssrfrmmnlqgeefvclksiillnsgvytflsstlksleekdhihrvldkitd
    tlihlmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkplsdlllemldahr
    

  • Chain 'C':
    Sequence, based on SEQRES records:
    >5kceC (C:)
    khkilhrllqdss
    

    Sequence, based on observed residues (ATOM records):
    >5kceC (C:)
    hkilhrllqd
    

  • Chain 'D':
    Sequence, based on SEQRES records:
    >5kceD (D:)
    khkilhrllqdss
    

    Sequence, based on observed residues (ATOM records):
    >5kceD (D:)
    kilhrllq