PDB entry 3r4e

View 3r4e on RCSB PDB site
Description: Crystal structure of the A314P mutant of mannonate dehydratase from novosphingobium aromaticivorans complexed with MG and D-mannonate
Class: lyase
Keywords: enolase fold, mannonate dehydratase, D-mannonate, LYASE
Deposited on 2011-03-17, released 2011-03-30
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-04-09, with a file datestamp of 2014-04-04.
Experiment type: XRAY
Resolution: 1.65 Å
R-factor: 0.185
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Novosphingobium aromaticivorans [TaxId:48935]
    Gene: Saro_3675
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (16-417)
      • expression tag (7-15)
      • engineered mutation (329)
    Domains in SCOPe 2.06: d3r4ea1, d3r4ea2, d3r4ea3
  • Chain 'B':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Novosphingobium aromaticivorans [TaxId:48935]
    Gene: Saro_3675
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (16-417)
      • engineered mutation (329)
    Domains in SCOPe 2.06: d3r4eb1, d3r4eb2
  • Chain 'C':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Novosphingobium aromaticivorans [TaxId:48935]
    Gene: Saro_3675
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (16-417)
      • engineered mutation (329)
    Domains in SCOPe 2.06: d3r4ec1, d3r4ec2
  • Chain 'D':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Novosphingobium aromaticivorans [TaxId:48935]
    Gene: Saro_3675
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (16-417)
      • engineered mutation (329)
    Domains in SCOPe 2.06: d3r4ed1, d3r4ed2
  • Heterogens: MG, CS2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3r4eA (A:)
hhhhhhssglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvv
aylqehvapcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmp
lyqllggrsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrg
klyyepadaslpsvtgwdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlg
kmlepyqlfwledctpaenqeafrlvrqhtvtplavgeifntiwdakdliqnqlidyira
tvvgagglthlrriadlaslyqvrtgchgptdlspvtmgcalhfdtwvpnfgiqeymrht
eetdavfphdywfekgelfvgetpghgvdideelaakypykpaylpvarledgtmwnw

    Sequence, based on observed residues (ATOM records): (download) 
    >3r4eA (A:)
sglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehv
apcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllgg
rsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgislpsvtgwdtrkalny
vpklfeelrktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrl
vrqhtvtplavgeifntiwdakdliqnqlidyiratvvgagglthlrriadlaslyqvrt
gchgptdlspvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpg
hgvdideelaakypykpaylpvarledgtmwnw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3r4eB (B:)
hhhhhhssglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvv
aylqehvapcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmp
lyqllggrsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrg
klyyepadaslpsvtgwdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlg
kmlepyqlfwledctpaenqeafrlvrqhtvtplavgeifntiwdakdliqnqlidyira
tvvgagglthlrriadlaslyqvrtgchgptdlspvtmgcalhfdtwvpnfgiqeymrht
eetdavfphdywfekgelfvgetpghgvdideelaakypykpaylpvarledgtmwnw

    Sequence, based on observed residues (ATOM records): (download) 
    >3r4eB (B:)
mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
ghangsdiaetveavghyidmgykairaqtgvpgislpsvtgwdtrkalnyvpklfeelr
ktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvtpl
avgeifntiwdakdliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgptdls
pvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdideel
aakypykpaylpvarledgtmwnw

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3r4eC (C:)
hhhhhhssglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvv
aylqehvapcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmp
lyqllggrsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrg
klyyepadaslpsvtgwdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlg
kmlepyqlfwledctpaenqeafrlvrqhtvtplavgeifntiwdakdliqnqlidyira
tvvgagglthlrriadlaslyqvrtgchgptdlspvtmgcalhfdtwvpnfgiqeymrht
eetdavfphdywfekgelfvgetpghgvdideelaakypykpaylpvarledgtmwnw

    Sequence, based on observed residues (ATOM records): (download) 
    >3r4eC (C:)
mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
ghangsdiaetveavghyidmgykairaqtgvpgilpsvtgwdtrkalnyvpklfeelrk
tygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvtpla
vgeifntiwdakdliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgptdlsp
vtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdideela
akypykpaylpvarledgtmwnw

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3r4eD (D:)
hhhhhhssglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvv
aylqehvapcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmp
lyqllggrsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrg
klyyepadaslpsvtgwdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlg
kmlepyqlfwledctpaenqeafrlvrqhtvtplavgeifntiwdakdliqnqlidyira
tvvgagglthlrriadlaslyqvrtgchgptdlspvtmgcalhfdtwvpnfgiqeymrht
eetdavfphdywfekgelfvgetpghgvdideelaakypykpaylpvarledgtmwnw

    Sequence, based on observed residues (ATOM records): (download) 
    >3r4eD (D:)
mkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmdp
rriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimvy
ghangsdiaetveavghyidmgykairaqtgvpgilpsvtgwdtrkalnyvpklfeelrk
tygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvtpla
vgeifntiwdakdliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgptdlsp
vtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdideela
akypykpaylpvarledgtmwnw