PDB entry 4l7d

View 4l7d on RCSB PDB site
Description: Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid
Class: transcription/inhibitor
Keywords: STRESS SENSOR, KELCH DOMAIN, KELCH REPEAT MOTIF, BETA-PROPELLER, NRF2, PROTEIN-SMALL MOLECULE COMPLEX, TRANSCRIPTION-INHIBITOR complex
Deposited on 2013-06-13, released 2014-02-19
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-04-23, with a file datestamp of 2014-04-18.
Experiment type: XRAY
Resolution: 2.25 Å
R-factor: 0.253
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Kelch-like ECH-associated protein 1
    Species: Homo sapiens [TaxId:9606]
    Gene: KEAP1, INRF2, KIAA0132, KLHL19
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q14145 (Start-291)
      • engineered mutation (36)
      • expression tag (292-293)
    Domains in SCOPe 2.05: d4l7da_
  • Chain 'B':
    Compound: Kelch-like ECH-associated protein 1
    Species: Homo sapiens [TaxId:9606]
    Gene: KEAP1, INRF2, KIAA0132, KLHL19
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q14145 (Start-291)
      • engineered mutation (36)
      • expression tag (292)
    Domains in SCOPe 2.05: d4l7db_
  • Chain 'C':
    Compound: Kelch-like ECH-associated protein 1
    Species: Homo sapiens [TaxId:9606]
    Gene: KEAP1, INRF2, KIAA0132, KLHL19
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q14145 (Start-291)
      • engineered mutation (36)
      • expression tag (292-293)
    Domains in SCOPe 2.05: d4l7dc_
  • Heterogens: 1VX, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4l7dA (A:)
    mghapkvgrliytaggyfrqslsyleaynpsdgtwldladlqvprsglagcvvggllyav
    ggrnnspdgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihh
    nsveryeperdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernew
    rmitamntirsgagvcvlhnciyaaggydgqdqlnsverydvetetwtfvapmkhrrsal
    gitvhqgriyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavtlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4l7dA (A:)
    rliytaggyfrqslsyleaynpsdgtwldladlqvprsglagcvvggllyavggrnnspd
    gntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsveryep
    erdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitamnt
    irsgagvcvlhnciyaaggydgqdqlnsverydvetetwtfvapmkhrrsalgitvhqgr
    iyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavtle
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4l7dB (B:)
    mghapkvgrliytaggyfrqslsyleaynpsdgtwldladlqvprsglagcvvggllyav
    ggrnnspdgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihh
    nsveryeperdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernew
    rmitamntirsgagvcvlhnciyaaggydgqdqlnsverydvetetwtfvapmkhrrsal
    gitvhqgriyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavtlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4l7dB (B:)
    rliytaggyfrqslsyleaynpsdgtwldladlqvprsglagcvvggllyavggrnnspd
    gntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsveryep
    erdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitamnt
    irsgagvcvlhnciyaaggydgqdqlnsverydvetetwtfvapmkhrrsalgitvhqgr
    iyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavtl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4l7dC (C:)
    mghapkvgrliytaggyfrqslsyleaynpsdgtwldladlqvprsglagcvvggllyav
    ggrnnspdgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihh
    nsveryeperdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernew
    rmitamntirsgagvcvlhnciyaaggydgqdqlnsverydvetetwtfvapmkhrrsal
    gitvhqgriyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavtlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4l7dC (C:)
    grliytaggyfrqslsyleaynpsdgtwldladlqvprsglagcvvggllyavggrnnsp
    dgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsverye
    perdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitamn
    tirsgagvcvlhnciyaaggydgqdqlnsverydvetetwtfvapmkhrrsalgitvhqg
    riyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavtle