PDB entry 4av7

View 4av7 on RCSB PDB site
Description: Structure determination of the double mutant S233Y F250G from the sec- alkyl sulfatase PisA1
Class: hydrolase
Keywords: hydrolase, inverting alkylsulfatase, double mutant
Deposited on 2012-05-24, released 2012-12-05
The last revision prior to the SCOPe 2.08 freeze date was dated 2012-12-05, with a file datestamp of 2012-11-30.
Experiment type: XRAY
Resolution: 3 Å
R-factor: 0.19
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: sec-alkylsulfatase
    Species: PSEUDOMONAS SP. DSM 6611 [TaxId:1007495]
    Database cross-references and differences (RAF-indexed):
    • Uniprot F8KAY7 (Start-659)
      • expression tag (660-662)
      • conflict (106)
      • engineered mutation (232)
      • engineered mutation (249)
    Domains in SCOPe 2.08: d4av7a1, d4av7a2, d4av7a3
  • Chain 'B':
    Compound: sec-alkylsulfatase
    Species: PSEUDOMONAS SP. DSM 6611 [TaxId:1007495]
    Database cross-references and differences (RAF-indexed):
    • Uniprot F8KAY7 (Start-659)
      • expression tag (660-665)
      • conflict (106)
      • engineered mutation (232)
      • engineered mutation (249)
    Domains in SCOPe 2.08: d4av7b1, d4av7b2, d4av7b3
  • Chain 'C':
    Compound: sec-alkylsulfatase
    Species: PSEUDOMONAS SP. DSM 6611 [TaxId:1007495]
    Database cross-references and differences (RAF-indexed):
    • Uniprot F8KAY7 (Start-659)
      • expression tag (660-662)
      • conflict (106)
      • engineered mutation (232)
      • engineered mutation (249)
    Domains in SCOPe 2.08: d4av7c1, d4av7c2, d4av7c3
  • Chain 'D':
    Compound: sec-alkylsulfatase
    Species: PSEUDOMONAS SP. DSM 6611 [TaxId:1007495]
    Database cross-references and differences (RAF-indexed):
    • Uniprot F8KAY7 (Start-659)
      • expression tag (660-662)
      • conflict (106)
      • engineered mutation (232)
      • engineered mutation (249)
    Domains in SCOPe 2.08: d4av7d1, d4av7d2, d4av7d3
  • Chain 'E':
    Compound: sec-alkylsulfatase
    Species: PSEUDOMONAS SP. DSM 6611 [TaxId:1007495]
    Database cross-references and differences (RAF-indexed):
    • Uniprot F8KAY7 (Start-659)
      • expression tag (660-662)
      • conflict (106)
      • engineered mutation (232)
      • engineered mutation (249)
    Domains in SCOPe 2.08: d4av7e1, d4av7e2, d4av7e3
  • Chain 'F':
    Compound: sec-alkylsulfatase
    Species: PSEUDOMONAS SP. DSM 6611 [TaxId:1007495]
    Database cross-references and differences (RAF-indexed):
    • Uniprot F8KAY7 (Start-659)
      • expression tag (660-662)
      • conflict (106)
      • engineered mutation (232)
      • engineered mutation (249)
    Domains in SCOPe 2.08: d4av7f1, d4av7f2, d4av7f3
  • Heterogens: ZN, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4av7A (A:)
    msrfirasqrrtllatliaatlaqpllaaesldskpasaitaaknaevlknlpfadreef
    eaakrgliapfsgqiknaegqvvwdmgayqflndkdaadtvnpslwrqaqlnniaglfev
    mpklyqvrgldpanmtiiegdsglvlidtlttaetaraaldlyfqhrpkkpivavvyshs
    hidhfggargiideadvkagkvkvfapsgfmehavsenilagtamarrgqyqygvmvprg
    aqaqvdsglgkttatnatntlvapnvliekpyerhtvdgvelefqltlgseapsdmniyl
    pqfkvlntadnappamhnlltprgaevrdakawagyidaslekygdrtdvliqqhnwpvw
    ggdkvrtyladqrdmyaflnnralnlmnkgltlheiaaevsklpgeldrkwylrsyygal
    stnlravyqrylgfydgnpanldpfppveagkryveamggadavlkqmraaidkgdyrwa
    vqlgnhlvfadpankdaralqadameqlgyqtenalwrnmymtgamelrhgvptydsrgk
    semgraltpdmffdllairldtdkavghdmtlnwvfedlkqdialtlrngvltqrvgsln
    pkadvtvkltkptldqiaarkldlptaikqgtvkldgdgkklgeffglldsfspkfnive
    lehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4av7A (A:)
    esldskpasaitaaknaevlknlpfadreefeaakrgliapfsgqiknaegqvvwdmgay
    qflndkdaadtvnpslwrqaqlnniaglfevmpklyqvrgldpanmtiiegdsglvlidt
    lttaetaraaldlyfqhrpkkpivavvyshshidhfggargiideadvkagkvkvfapsg
    fmehavsenilagtamarrgqyqygvmvprgaqaqvdsglgkttatnatntlvapnvlie
    kpyerhtvdgvelefqltlgseapsdmniylpqfkvlntadnappamhnlltprgaevrd
    akawagyidaslekygdrtdvliqqhnwpvwggdkvrtyladqrdmyaflnnralnlmnk
    gltlheiaaevsklpgeldrkwylrsyygalstnlravyqrylgfydgnpanldpfppve
    agkryveamggadavlkqmraaidkgdyrwavqlgnhlvfadpankdaralqadameqlg
    yqtenalwrnmymtgamelrhgvptydsrgksemgraltpdmffdllairldtdkavghd
    mtlnwvfedlkqdialtlrngvltqrvgslnpkadvtvkltkptldqiaarkldlptaik
    qgtvkldgdgkklgeffglldsfspkfniveleh
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4av7B (B:)
    msrfirasqrrtllatliaatlaqpllaaesldskpasaitaaknaevlknlpfadreef
    eaakrgliapfsgqiknaegqvvwdmgayqflndkdaadtvnpslwrqaqlnniaglfev
    mpklyqvrgldpanmtiiegdsglvlidtlttaetaraaldlyfqhrpkkpivavvyshs
    hidhfggargiideadvkagkvkvfapsgfmehavsenilagtamarrgqyqygvmvprg
    aqaqvdsglgkttatnatntlvapnvliekpyerhtvdgvelefqltlgseapsdmniyl
    pqfkvlntadnappamhnlltprgaevrdakawagyidaslekygdrtdvliqqhnwpvw
    ggdkvrtyladqrdmyaflnnralnlmnkgltlheiaaevsklpgeldrkwylrsyygal
    stnlravyqrylgfydgnpanldpfppveagkryveamggadavlkqmraaidkgdyrwa
    vqlgnhlvfadpankdaralqadameqlgyqtenalwrnmymtgamelrhgvptydsrgk
    semgraltpdmffdllairldtdkavghdmtlnwvfedlkqdialtlrngvltqrvgsln
    pkadvtvkltkptldqiaarkldlptaikqgtvkldgdgkklgeffglldsfspkfnive
    lehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4av7B (B:)
    esldskpasaitaaknaevlknlpfadreefeaakrgliapfsgqiknaegqvvwdmgay
    qflndkdaadtvnpslwrqaqlnniaglfevmpklyqvrgldpanmtiiegdsglvlidt
    lttaetaraaldlyfqhrpkkpivavvyshshidhfggargiideadvkagkvkvfapsg
    fmehavsenilagtamarrgqyqygvmvprgaqaqvdsglgkttatnatntlvapnvlie
    kpyerhtvdgvelefqltlgseapsdmniylpqfkvlntadnappamhnlltprgaevrd
    akawagyidaslekygdrtdvliqqhnwpvwggdkvrtyladqrdmyaflnnralnlmnk
    gltlheiaaevsklpgeldrkwylrsyygalstnlravyqrylgfydgnpanldpfppve
    agkryveamggadavlkqmraaidkgdyrwavqlgnhlvfadpankdaralqadameqlg
    yqtenalwrnmymtgamelrhgvptydsrgksemgraltpdmffdllairldtdkavghd
    mtlnwvfedlkqdialtlrngvltqrvgslnpkadvtvkltkptldqiaarkldlptaik
    qgtvkldgdgkklgeffglldsfspkfnivelehhhh
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4av7C (C:)
    msrfirasqrrtllatliaatlaqpllaaesldskpasaitaaknaevlknlpfadreef
    eaakrgliapfsgqiknaegqvvwdmgayqflndkdaadtvnpslwrqaqlnniaglfev
    mpklyqvrgldpanmtiiegdsglvlidtlttaetaraaldlyfqhrpkkpivavvyshs
    hidhfggargiideadvkagkvkvfapsgfmehavsenilagtamarrgqyqygvmvprg
    aqaqvdsglgkttatnatntlvapnvliekpyerhtvdgvelefqltlgseapsdmniyl
    pqfkvlntadnappamhnlltprgaevrdakawagyidaslekygdrtdvliqqhnwpvw
    ggdkvrtyladqrdmyaflnnralnlmnkgltlheiaaevsklpgeldrkwylrsyygal
    stnlravyqrylgfydgnpanldpfppveagkryveamggadavlkqmraaidkgdyrwa
    vqlgnhlvfadpankdaralqadameqlgyqtenalwrnmymtgamelrhgvptydsrgk
    semgraltpdmffdllairldtdkavghdmtlnwvfedlkqdialtlrngvltqrvgsln
    pkadvtvkltkptldqiaarkldlptaikqgtvkldgdgkklgeffglldsfspkfnive
    lehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4av7C (C:)
    esldskpasaitaaknaevlknlpfadreefeaakrgliapfsgqiknaegqvvwdmgay
    qflndkdaadtvnpslwrqaqlnniaglfevmpklyqvrgldpanmtiiegdsglvlidt
    lttaetaraaldlyfqhrpkkpivavvyshshidhfggargiideadvkagkvkvfapsg
    fmehavsenilagtamarrgqyqygvmvprgaqaqvdsglgkttatnatntlvapnvlie
    kpyerhtvdgvelefqltlgseapsdmniylpqfkvlntadnappamhnlltprgaevrd
    akawagyidaslekygdrtdvliqqhnwpvwggdkvrtyladqrdmyaflnnralnlmnk
    gltlheiaaevsklpgeldrkwylrsyygalstnlravyqrylgfydgnpanldpfppve
    agkryveamggadavlkqmraaidkgdyrwavqlgnhlvfadpankdaralqadameqlg
    yqtenalwrnmymtgamelrhgvptydsrgksemgraltpdmffdllairldtdkavghd
    mtlnwvfedlkqdialtlrngvltqrvgslnpkadvtvkltkptldqiaarkldlptaik
    qgtvkldgdgkklgeffglldsfspkfniveleh
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4av7D (D:)
    msrfirasqrrtllatliaatlaqpllaaesldskpasaitaaknaevlknlpfadreef
    eaakrgliapfsgqiknaegqvvwdmgayqflndkdaadtvnpslwrqaqlnniaglfev
    mpklyqvrgldpanmtiiegdsglvlidtlttaetaraaldlyfqhrpkkpivavvyshs
    hidhfggargiideadvkagkvkvfapsgfmehavsenilagtamarrgqyqygvmvprg
    aqaqvdsglgkttatnatntlvapnvliekpyerhtvdgvelefqltlgseapsdmniyl
    pqfkvlntadnappamhnlltprgaevrdakawagyidaslekygdrtdvliqqhnwpvw
    ggdkvrtyladqrdmyaflnnralnlmnkgltlheiaaevsklpgeldrkwylrsyygal
    stnlravyqrylgfydgnpanldpfppveagkryveamggadavlkqmraaidkgdyrwa
    vqlgnhlvfadpankdaralqadameqlgyqtenalwrnmymtgamelrhgvptydsrgk
    semgraltpdmffdllairldtdkavghdmtlnwvfedlkqdialtlrngvltqrvgsln
    pkadvtvkltkptldqiaarkldlptaikqgtvkldgdgkklgeffglldsfspkfnive
    lehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4av7D (D:)
    esldskpasaitaaknaevlknlpfadreefeaakrgliapfsgqiknaegqvvwdmgay
    qflndkdaadtvnpslwrqaqlnniaglfevmpklyqvrgldpanmtiiegdsglvlidt
    lttaetaraaldlyfqhrpkkpivavvyshshidhfggargiideadvkagkvkvfapsg
    fmehavsenilagtamarrgqyqygvmvprgaqaqvdsglgkttatnatntlvapnvlie
    kpyerhtvdgvelefqltlgseapsdmniylpqfkvlntadnappamhnlltprgaevrd
    akawagyidaslekygdrtdvliqqhnwpvwggdkvrtyladqrdmyaflnnralnlmnk
    gltlheiaaevsklpgeldrkwylrsyygalstnlravyqrylgfydgnpanldpfppve
    agkryveamggadavlkqmraaidkgdyrwavqlgnhlvfadpankdaralqadameqlg
    yqtenalwrnmymtgamelrhgvptydsrgksemgraltpdmffdllairldtdkavghd
    mtlnwvfedlkqdialtlrngvltqrvgslnpkadvtvkltkptldqiaarkldlptaik
    qgtvkldgdgkklgeffglldsfspkfniveleh
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4av7E (E:)
    msrfirasqrrtllatliaatlaqpllaaesldskpasaitaaknaevlknlpfadreef
    eaakrgliapfsgqiknaegqvvwdmgayqflndkdaadtvnpslwrqaqlnniaglfev
    mpklyqvrgldpanmtiiegdsglvlidtlttaetaraaldlyfqhrpkkpivavvyshs
    hidhfggargiideadvkagkvkvfapsgfmehavsenilagtamarrgqyqygvmvprg
    aqaqvdsglgkttatnatntlvapnvliekpyerhtvdgvelefqltlgseapsdmniyl
    pqfkvlntadnappamhnlltprgaevrdakawagyidaslekygdrtdvliqqhnwpvw
    ggdkvrtyladqrdmyaflnnralnlmnkgltlheiaaevsklpgeldrkwylrsyygal
    stnlravyqrylgfydgnpanldpfppveagkryveamggadavlkqmraaidkgdyrwa
    vqlgnhlvfadpankdaralqadameqlgyqtenalwrnmymtgamelrhgvptydsrgk
    semgraltpdmffdllairldtdkavghdmtlnwvfedlkqdialtlrngvltqrvgsln
    pkadvtvkltkptldqiaarkldlptaikqgtvkldgdgkklgeffglldsfspkfnive
    lehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4av7E (E:)
    esldskpasaitaaknaevlknlpfadreefeaakrgliapfsgqiknaegqvvwdmgay
    qflndkdaadtvnpslwrqaqlnniaglfevmpklyqvrgldpanmtiiegdsglvlidt
    lttaetaraaldlyfqhrpkkpivavvyshshidhfggargiideadvkagkvkvfapsg
    fmehavsenilagtamarrgqyqygvmvprgaqaqvdsglgkttatnatntlvapnvlie
    kpyerhtvdgvelefqltlgseapsdmniylpqfkvlntadnappamhnlltprgaevrd
    akawagyidaslekygdrtdvliqqhnwpvwggdkvrtyladqrdmyaflnnralnlmnk
    gltlheiaaevsklpgeldrkwylrsyygalstnlravyqrylgfydgnpanldpfppve
    agkryveamggadavlkqmraaidkgdyrwavqlgnhlvfadpankdaralqadameqlg
    yqtenalwrnmymtgamelrhgvptydsrgksemgraltpdmffdllairldtdkavghd
    mtlnwvfedlkqdialtlrngvltqrvgslnpkadvtvkltkptldqiaarkldlptaik
    qgtvkldgdgkklgeffglldsfspkfniveleh
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4av7F (F:)
    msrfirasqrrtllatliaatlaqpllaaesldskpasaitaaknaevlknlpfadreef
    eaakrgliapfsgqiknaegqvvwdmgayqflndkdaadtvnpslwrqaqlnniaglfev
    mpklyqvrgldpanmtiiegdsglvlidtlttaetaraaldlyfqhrpkkpivavvyshs
    hidhfggargiideadvkagkvkvfapsgfmehavsenilagtamarrgqyqygvmvprg
    aqaqvdsglgkttatnatntlvapnvliekpyerhtvdgvelefqltlgseapsdmniyl
    pqfkvlntadnappamhnlltprgaevrdakawagyidaslekygdrtdvliqqhnwpvw
    ggdkvrtyladqrdmyaflnnralnlmnkgltlheiaaevsklpgeldrkwylrsyygal
    stnlravyqrylgfydgnpanldpfppveagkryveamggadavlkqmraaidkgdyrwa
    vqlgnhlvfadpankdaralqadameqlgyqtenalwrnmymtgamelrhgvptydsrgk
    semgraltpdmffdllairldtdkavghdmtlnwvfedlkqdialtlrngvltqrvgsln
    pkadvtvkltkptldqiaarkldlptaikqgtvkldgdgkklgeffglldsfspkfnive
    lehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4av7F (F:)
    esldskpasaitaaknaevlknlpfadreefeaakrgliapfsgqiknaegqvvwdmgay
    qflndkdaadtvnpslwrqaqlnniaglfevmpklyqvrgldpanmtiiegdsglvlidt
    lttaetaraaldlyfqhrpkkpivavvyshshidhfggargiideadvkagkvkvfapsg
    fmehavsenilagtamarrgqyqygvmvprgaqaqvdsglgkttatnatntlvapnvlie
    kpyerhtvdgvelefqltlgseapsdmniylpqfkvlntadnappamhnlltprgaevrd
    akawagyidaslekygdrtdvliqqhnwpvwggdkvrtyladqrdmyaflnnralnlmnk
    gltlheiaaevsklpgeldrkwylrsyygalstnlravyqrylgfydgnpanldpfppve
    agkryveamggadavlkqmraaidkgdyrwavqlgnhlvfadpankdaralqadameqlg
    yqtenalwrnmymtgamelrhgvptydsrgksemgraltpdmffdllairldtdkavghd
    mtlnwvfedlkqdialtlrngvltqrvgslnpkadvtvkltkptldqiaarkldlptaik
    qgtvkldgdgkklgeffglldsfspkfniveleh