PDB entry 6pet

View 6pet on RCSB PDB site
Description: Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha
Class: nuclear protein
Keywords: hormone receptor, ligand, breast cancer, drug, antagonist, NUCLEAR PROTEIN
Deposited on 2019-06-20, released 2019-07-17
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-08-28, with a file datestamp of 2019-08-23.
Experiment type: XRAY
Resolution: 2.2 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 (98)
      • engineered mutation (262)
    Domains in SCOPe 2.08: d6peta_
  • 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 (98)
      • engineered mutation (262)
    Domains in SCOPe 2.08: d6petb_
  • 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 (98)
      • engineered mutation (262)
    Domains in SCOPe 2.08: d6petc_
  • 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 (98)
      • engineered mutation (262)
    Domains in SCOPe 2.08: d6petd_
  • Heterogens: ODY, G9J, CL, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6petA (A:)
mhhhhhhssgvdlgtenlyfqsnaikrskknslalsltadqmvsalldaeppilyseydp
trpfseasmmglltnladrelvhminwakrvpgfvdltshdqvhllecawleilmiglvw
rsmehpgkllfapnllldrnqgkcvegmveifdmllatssrfrmmnlqgeefvclksiil
lnsgvytflsstlksleekdhihrvldkitdtlihlmakagltlqqqhqrlaqlllilsh
irhmsnkgmehlysmkcknvvpsydlllemldahrlhapt

    Sequence, based on observed residues (ATOM records): (download) 
    >6petA (A:)
lalsltadqmvsalldaeppilysesmmglltnladrelvhminwakrvpgfvdltshdq
vhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmveifdmllatssrf
rmmnlqgeefvclksiillnsgvyttlksleekdhihrvldkitdtlihlmakagltlqq
qhqrlaqlllilshirhmsnkgmehlyvvpsydlllemld

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6petB (B:)
mhhhhhhssgvdlgtenlyfqsnaikrskknslalsltadqmvsalldaeppilyseydp
trpfseasmmglltnladrelvhminwakrvpgfvdltshdqvhllecawleilmiglvw
rsmehpgkllfapnllldrnqgkcvegmveifdmllatssrfrmmnlqgeefvclksiil
lnsgvytflsstlksleekdhihrvldkitdtlihlmakagltlqqqhqrlaqlllilsh
irhmsnkgmehlysmkcknvvpsydlllemldahrlhapt

    Sequence, based on observed residues (ATOM records): (download) 
    >6petB (B:)
lalsltadqmvsalldaeppilyseydptsmmglltnladrelvhminwakrvpgfvdlt
shdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmveifdmllat
ssrfrmmnlqgeefvclksiillnsgvytftlksleekdhihrvldkitdtlihlmakag
ltlqqqhqrlaqlllilshirhmsnkgmehlysmkpsydllleml

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6petC (C:)
mhhhhhhssgvdlgtenlyfqsnaikrskknslalsltadqmvsalldaeppilyseydp
trpfseasmmglltnladrelvhminwakrvpgfvdltshdqvhllecawleilmiglvw
rsmehpgkllfapnllldrnqgkcvegmveifdmllatssrfrmmnlqgeefvclksiil
lnsgvytflsstlksleekdhihrvldkitdtlihlmakagltlqqqhqrlaqlllilsh
irhmsnkgmehlysmkcknvvpsydlllemldahrlhapt

    Sequence, based on observed residues (ATOM records): (download) 
    >6petC (C:)
lalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhminwakrvp
gfvdltshdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmveif
dmllatssrfrmmnlqgeefvclksiillnsgvytftlksleekdhihrvldkitdtlih
lmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpsydlllemldah

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6petD (D:)
mhhhhhhssgvdlgtenlyfqsnaikrskknslalsltadqmvsalldaeppilyseydp
trpfseasmmglltnladrelvhminwakrvpgfvdltshdqvhllecawleilmiglvw
rsmehpgkllfapnllldrnqgkcvegmveifdmllatssrfrmmnlqgeefvclksiil
lnsgvytflsstlksleekdhihrvldkitdtlihlmakagltlqqqhqrlaqlllilsh
irhmsnkgmehlysmkcknvvpsydlllemldahrlhapt

    Sequence, based on observed residues (ATOM records): (download) 
    >6petD (D:)
lalsltadqmvsalldaeppilyseydptrpfseasmmglltnladrelvhminwakrvp
gfvdltshdqvhllecawleilmiglvwrsmehpgkllfapnllldrnqgkcvegmveif
dmllatssrfrmmnlqgeefvclksiillnsgvytftlksleekdhihrvldkitdtlih
lmakagltlqqqhqrlaqlllilshirhmsnkgmehlysmkcknvvpsydlllemlda