PDB entry 5who

View 5who on RCSB PDB site
Description: Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-oxo-4H-1-benzopyran-2-carboxylic 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 2.08 freeze date was dated 2020-04-01, with a file datestamp of 2020-03-27.
Experiment type: XRAY
Resolution: 2.23 Å
R-factor: N/A
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
      • engineered mutation (251)
      • engineered mutation (253)
    Domains in SCOPe 2.08: d5whoa_
  • 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 2.08: d5whob1, d5whob2
  • Heterogens: SO4, AO7, HOH

PDB Chain Sequences:

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

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

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

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