PDB entry 5whl

View 5whl on RCSB PDB site
Description: Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid
Class: transcription/inhibitor
Keywords: Scaffold, Inhibitor, Fragment, TRANSCRIPTION, TRANSCRIPTION-INHIBITOR complex
Deposited on 2017-07-17, released 2018-09-19
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-09-19, with a file datestamp of 2018-09-14.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.21 (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
      • engineered mutation (251)
      • engineered mutation (253)
    Domains in SCOPe 2.07: d5whla_
  • 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
      • engineered mutation (251)
      • engineered mutation (253)
      • engineered mutation (324)
    Domains in SCOPe 2.07: d5whlb1, d5whlb2
  • Heterogens: HPP, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5whlA (A:)
    mgsshhhhhhssggenlyfqghmkptqvmpsrapkvgrliytaggyfrqslsyleaynps
    dgtwlrladlqvprsglagcvvggllyavggrnnspdgntdssaldcynpmtnqwspcap
    msvprnrigvgvidghiyavggshgcihhnsveryeperdewhlvapmltrrigvgvavl
    nrllyavggfdgtnrlnsaecyypernewrmitamntirsgagvcvlhnciyaaggydgq
    dqlnsverydvatatwtfvapmkhrrsalgitvhqgriyvlggydghtfldsvecydpdt
    dtwsevtrmtsgrsgvgvavtmepsrkqidqqnsts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5whlA (A:)
    taggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavggrnnspdgntd
    ssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsveryeperde
    whlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitamntirsg
    agvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgitvhqgriyvl
    ggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5whlB (B:)
    mgsshhhhhhssggenlyfqghmkptqvmpsrapkvgrliytaggyfrqslsyleaynps
    dgtwlrladlqvprsglagcvvggllyavggrnnspdgntdssaldcynpmtnqwspcap
    msvprnrigvgvidghiyavggshgcihhnsveryeperdewhlvapmltrrigvgvavl
    nrllyavggfdgtnrlnsaecyypernewrmitamntirsgagvcvlhnciyaaggydgq
    dqlnsverydvatatwtfvapmkhrrsalgitvhqgriyvlggydghtfldsvecydpdt
    dtwsevtrmtsgrsgvgvavtmepsrkqidqqnsts
    

    Sequence, based on observed residues (ATOM records): (download)
    >5whlB (B:)
    grliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavggrnnsp
    dgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsverye
    perdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitamn
    tirsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgitvhqg
    riyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavtmeps