PDB entry 5a4k

View 5a4k on RCSB PDB site
Description: Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase
Class: oxidoreductase
Keywords: nqo1, fad, flavoprotein, oxidative stress, quinone reductase, drug metabolism, oxidoreductase, single amino acid exchange
Deposited on 2015-06-10, released 2016-06-29
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-04-26, with a file datestamp of 2017-04-21.
Experiment type: XRAY
Resolution: 2.09 Å
R-factor: N/A
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: nad(p)h dehydrogenase [quinone] 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P15559
      • engineered mutation (158)
    Domains in SCOPe 2.07: d5a4ka_
  • Chain 'B':
    Compound: nad(p)h dehydrogenase [quinone] 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P15559
      • engineered mutation (158)
    Domains in SCOPe 2.07: d5a4kb_
  • Chain 'C':
    Compound: nad(p)h dehydrogenase [quinone] 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P15559
      • engineered mutation (158)
    Domains in SCOPe 2.07: d5a4kc_
  • Chain 'D':
    Compound: nad(p)h dehydrogenase [quinone] 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P15559
      • engineered mutation (158)
    Domains in SCOPe 2.07: d5a4kd_
  • Heterogens: FAD, BTB, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5a4kA (A:)
    mgsshhhhhhssglvprgshmvgrralivlahsertsfnyamkeaaaaalkkkgwevves
    dlyamnfnpiisrkditgklkdpanfqypaesvlaykeghlspdivaeqkkleaadlvif
    qfplqwfgvpailkgwfervfigefaytyaamydkgpfwskkavlsittggsgsmyslqg
    ihgdmnvilwpiqsgilhfcgfqvlepqltysightpadariqilegwkkrleniwdetp
    lyfapsslfdlnfqagflmkkevqdeeknkkfglsvghhlgksiptdnqikark
    

    Sequence, based on observed residues (ATOM records): (download)
    >5a4kA (A:)
    grralivlahsertsfnyamkeaaaaalkkkgwevvesdlyamnfnpiisrkditgklkd
    panfqypaesvlaykeghlspdivaeqkkleaadlvifqfplqwfgvpailkgwfervfi
    gefaytyaamydkgpfwskkavlsittggsgsmyslqgihgdmnvilwpiqsgilhfcgf
    qvlepqltysightpadariqilegwkkrleniwdetplyfapsslfdlnfqagflmkke
    vqdeeknkkfglsvghhlgksiptdnqikar
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5a4kB (B:)
    mgsshhhhhhssglvprgshmvgrralivlahsertsfnyamkeaaaaalkkkgwevves
    dlyamnfnpiisrkditgklkdpanfqypaesvlaykeghlspdivaeqkkleaadlvif
    qfplqwfgvpailkgwfervfigefaytyaamydkgpfwskkavlsittggsgsmyslqg
    ihgdmnvilwpiqsgilhfcgfqvlepqltysightpadariqilegwkkrleniwdetp
    lyfapsslfdlnfqagflmkkevqdeeknkkfglsvghhlgksiptdnqikark
    

    Sequence, based on observed residues (ATOM records): (download)
    >5a4kB (B:)
    grralivlahsertsfnyamkeaaaaalkkkgwevvesdlyamnfnpiisrkditgklkd
    panfqypaesvlaykeghlspdivaeqkkleaadlvifqfplqwfgvpailkgwfervfi
    gefaytyaamydkgpfwskkavlsittggsgsmyslqgihgdmnvilwpiqsgilhfcgf
    qvlepqltysightpadariqilegwkkrleniwdetplyfapsslfdlnfqagflmkke
    vqdeeknkkfglsvghhlgksiptdnqikar
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5a4kC (C:)
    mgsshhhhhhssglvprgshmvgrralivlahsertsfnyamkeaaaaalkkkgwevves
    dlyamnfnpiisrkditgklkdpanfqypaesvlaykeghlspdivaeqkkleaadlvif
    qfplqwfgvpailkgwfervfigefaytyaamydkgpfwskkavlsittggsgsmyslqg
    ihgdmnvilwpiqsgilhfcgfqvlepqltysightpadariqilegwkkrleniwdetp
    lyfapsslfdlnfqagflmkkevqdeeknkkfglsvghhlgksiptdnqikark
    

    Sequence, based on observed residues (ATOM records): (download)
    >5a4kC (C:)
    grralivlahsertsfnyamkeaaaaalkkkgwevvesdlyamnfnpiisrkditgklkd
    panfqypaesvlaykeghlspdivaeqkkleaadlvifqfplqwfgvpailkgwfervfi
    gefaytyaamydkgpfwskkavlsittggsgsmyslqgihgdmnvilwpiqsgilhfcgf
    qvlepqltysightpadariqilegwkkrleniwdetplyfapsslfdlnfqagflmkke
    vqdeeknkkfglsvghhlgksiptdnqikar
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5a4kD (D:)
    mgsshhhhhhssglvprgshmvgrralivlahsertsfnyamkeaaaaalkkkgwevves
    dlyamnfnpiisrkditgklkdpanfqypaesvlaykeghlspdivaeqkkleaadlvif
    qfplqwfgvpailkgwfervfigefaytyaamydkgpfwskkavlsittggsgsmyslqg
    ihgdmnvilwpiqsgilhfcgfqvlepqltysightpadariqilegwkkrleniwdetp
    lyfapsslfdlnfqagflmkkevqdeeknkkfglsvghhlgksiptdnqikark
    

    Sequence, based on observed residues (ATOM records): (download)
    >5a4kD (D:)
    grralivlahsertsfnyamkeaaaaalkkkgwevvesdlyamnfnpiisrkditgklkd
    panfqypaesvlaykeghlspdivaeqkkleaadlvifqfplqwfgvpailkgwfervfi
    gefaytyaamydkgpfwskkavlsittggsgsmyslqgihgdmnvilwpiqsgilhfcgf
    qvlepqltysightpadariqilegwkkrleniwdetplyfapsslfdlnfqagflmkke
    vqdeeknkkfglsvghhlgksiptdnqikar