PDB entry 2qjm

View 2qjm on RCSB PDB site
Description: Crystal structure of the K271E mutant of Mannonate dehydratase from Novosphingobium aromaticivorans complexed with Mg and D-mannonate
Class: lyase
Keywords: D-mannonate dehydratase, Enolase superfamily, LYASE
Deposited on 2007-07-08, released 2007-10-30
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.168
AEROSPACI score: 0.43 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Novosphingobium aromaticivorans [TaxId:48935]
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (0-401)
      • engineered (270)
    Domains in SCOPe 2.06: d2qjma1, d2qjma2
  • Chain 'B':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Novosphingobium aromaticivorans [TaxId:48935]
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (0-401)
      • engineered (270)
    Domains in SCOPe 2.06: d2qjmb1, d2qjmb2
  • Chain 'C':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Novosphingobium aromaticivorans [TaxId:48935]
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (0-401)
      • engineered (270)
    Domains in SCOPe 2.06: d2qjmc1, d2qjmc2
  • Chain 'D':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Novosphingobium aromaticivorans [TaxId:48935]
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (0-401)
      • engineered (270)
    Domains in SCOPe 2.06: d2qjmd1, d2qjmd2
  • Heterogens: MG, CS2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2qjmA (A:)
    mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
    rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
    ghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrgklyyepadaslpsvtg
    wdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctp
    aenqeafrlvrqhtvtplavgeifntiwdaedliqnqlidyiratvvgagglthlrriad
    laslyqvrtgchgatdlspvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekg
    elfvgetpghgvdideelaakypykpaylpvarledgtmwnw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2qjmA (A:)
    mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
    rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
    ghangsdiaetveavghyidmgykairaqtgvpgislpsvtgwdtrkalnyvpklfeelr
    ktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvtpl
    avgeifntiwdaedliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgatdls
    pvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdideel
    aakypykpaylpvarledgtmwnw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2qjmB (B:)
    mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
    rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
    ghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrgklyyepadaslpsvtg
    wdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctp
    aenqeafrlvrqhtvtplavgeifntiwdaedliqnqlidyiratvvgagglthlrriad
    laslyqvrtgchgatdlspvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekg
    elfvgetpghgvdideelaakypykpaylpvarledgtmwnw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2qjmB (B:)
    mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
    rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
    ghangsdiaetveavghyidmgykairaqtgvpgiaslpsvtgwdtrkalnyvpklfeel
    rktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvtp
    lavgeifntiwdaedliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgatdl
    spvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdidee
    laakypykpaylpvarledgtmwnw
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2qjmC (C:)
    mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
    rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
    ghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrgklyyepadaslpsvtg
    wdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctp
    aenqeafrlvrqhtvtplavgeifntiwdaedliqnqlidyiratvvgagglthlrriad
    laslyqvrtgchgatdlspvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekg
    elfvgetpghgvdideelaakypykpaylpvarledgtmwnw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2qjmC (C:)
    mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
    rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
    ghangsdiaetveavghyidmgykairaqtgvpgislpsvtgwdtrkalnyvpklfeelr
    ktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvtpl
    avgeifntiwdaedliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgatdls
    pvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdideel
    aakypykpaylpvarledgtmwnw
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2qjmD (D:)
    mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
    rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
    ghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrgklyyepadaslpsvtg
    wdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctp
    aenqeafrlvrqhtvtplavgeifntiwdaedliqnqlidyiratvvgagglthlrriad
    laslyqvrtgchgatdlspvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekg
    elfvgetpghgvdideelaakypykpaylpvarledgtmwnw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2qjmD (D:)
    mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
    rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
    ghangsdiaetveavghyidmgykairaqtgvpgiaslpsvtgwdtrkalnyvpklfeel
    rktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvtp
    lavgeifntiwdaedliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgatdl
    spvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdidee
    laakypykpaylpvarledgtmwnw