PDB entry 6v6z

View 6v6z on RCSB PDB site
Description: Crystal structure of N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine bound to human Keap1 Kelch domain
Class: protein binding/inhibitor
Keywords: Protein-protein interaction inhibitor, Keap1, Nrf2 activator, Protein binding-inhibitor complex
Deposited on 2019-12-06, released 2020-04-29
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-04-07, with a file datestamp of 2021-04-02.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: N/A
AEROSPACI score: 0.53 (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-289)
      • engineered mutation (220)
      • engineered mutation (222)
    Domains in SCOPe 2.08: d6v6za_
  • 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-289)
      • engineered mutation (220)
      • engineered mutation (222)
    Domains in SCOPe 2.08: d6v6zb_
  • 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-289)
      • engineered mutation (220)
      • engineered mutation (222)
    Domains in SCOPe 2.08: d6v6zc_
  • Chain 'D':
    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-289)
      • engineered mutation (220)
      • engineered mutation (222)
    Domains in SCOPe 2.08: d6v6zd_
  • Heterogens: Q5Y, FMT, NA, DTD, DTT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6v6zA (A:)
sapkvgrliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavgg
rnnspdgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhns
veryeperdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrm
itamntirsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgi
tvhqgriyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt

    Sequence, based on observed residues (ATOM records): (download) 
    >6v6zA (A:)
grliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavggrnnsp
dgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsverye
perdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitamn
tirsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgitvhqg
riyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6v6zB (B:)
sapkvgrliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavgg
rnnspdgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhns
veryeperdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrm
itamntirsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgi
tvhqgriyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt

    Sequence, based on observed residues (ATOM records): (download) 
    >6v6zB (B:)
vgrliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavggrnns
pdgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsvery
eperdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitam
ntirsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgitvhq
griyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6v6zC (C:)
sapkvgrliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavgg
rnnspdgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhns
veryeperdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrm
itamntirsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgi
tvhqgriyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt

    Sequence, based on observed residues (ATOM records): (download) 
    >6v6zC (C:)
grliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavggrnnsp
dgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsverye
perdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitamn
tirsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgitvhqg
riyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6v6zD (D:)
sapkvgrliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavgg
rnnspdgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhns
veryeperdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrm
itamntirsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgi
tvhqgriyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt

    Sequence, based on observed residues (ATOM records): (download) 
    >6v6zD (D:)
grliytaggyfrqslsyleaynpsdgtwlrladlqvprsglagcvvggllyavggrnnsp
dgntdssaldcynpmtnqwspcapmsvprnrigvgvidghiyavggshgcihhnsverye
perdewhlvapmltrrigvgvavlnrllyavggfdgtnrlnsaecyypernewrmitamn
tirsgagvcvlhnciyaaggydgqdqlnsverydvatatwtfvapmkhrrsalgitvhqg
riyvlggydghtfldsvecydpdtdtwsevtrmtsgrsgvgvavt