PDB entry 5wiy

View 5wiy on RCSB PDB site
Description: Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
Class: transcription/inhibitor
Keywords: Scaffold, Inhibitor, Fragment, TRANSCRIPTION, TRANSCRIPTION-INHIBITOR complex
Deposited on 2017-07-20, released 2018-09-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-09-26, with a file datestamp of 2018-09-21.
Experiment type: XRAY
Resolution: 2.23 Å
R-factor: N/A
AEROSPACI score: 0.27 (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: d5wiya_
  • 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: d5wiyb1, d5wiyb2
  • Heterogens: 1XM, SO4, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5wiyA (A:)
rliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavggrnnspd
gntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsveryep
erdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitamnt
irsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgitvhqgr
iyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt

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

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