PDB entry 4k1w

View 4k1w on RCSB PDB site
Description: Crystal structure of the A314P mutant of mannonate dehydratase from novosphingobium aromaticivorans complexed with mg and d-mannonate
Class: isomerase
Keywords: Enolase fold, MANNONATE DEHYDRATASE, D-MANNONATE, ISOMERASE
Deposited on 2013-04-06, released 2014-04-09
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: 0.158
AEROSPACI score: 0.51 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein
    Species: Novosphingobium aromaticivorans [TaxId:279238]
    Gene: Saro_3675
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (16-417)
      • expression tag (6-15)
      • engineered mutation (329)
    Domains in SCOPe 2.06: d4k1wa1, d4k1wa2, d4k1wa3
  • Chain 'B':
    Compound: Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein
    Species: Novosphingobium aromaticivorans [TaxId:279238]
    Gene: Saro_3675
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (16-417)
      • expression tag (15)
      • engineered mutation (329)
    Domains in SCOPe 2.06: d4k1wb1, d4k1wb2, d4k1wb3
  • Chain 'C':
    Compound: Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein
    Species: Novosphingobium aromaticivorans [TaxId:279238]
    Gene: Saro_3675
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (16-417)
      • expression tag (15)
      • engineered mutation (329)
    Domains in SCOPe 2.06: d4k1wc1, d4k1wc2, d4k1wc3
  • Chain 'D':
    Compound: Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein
    Species: Novosphingobium aromaticivorans [TaxId:279238]
    Gene: Saro_3675
    Database cross-references and differences (RAF-indexed):
    • Uniprot A4XF23 (16-417)
      • expression tag (15)
      • engineered mutation (329)
    Domains in SCOPe 2.06: d4k1wd1, d4k1wd2, d4k1wd3
  • Heterogens: MG, CS2, PGE, CO2, PDO, CO3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4k1wA (A:)
hhhhhhssglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvv
aylqehvapcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmp
lyqllggrsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrg
klyyepadaslpsvtgwdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlg
kmlepyqlfwledctpaenqeafrlvrqhtvtplavgeifntiwdakdliqnqlidyira
tvvgagglthlrriadlaslyqvrtgchgptdlspvtmgcalhfdtwvpnfgiqeymrht
eetdavfphdywfekgelfvgetpghgvdideelaakypykpaylpvarledgtmwnw

    Sequence, based on observed residues (ATOM records): (download) 
    >4k1wA (A:)
ssglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqeh
vapcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllg
grsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgikslpsvtgwdtrkal
nyvpklfeelrktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeaf
rlvrqhtvtplavgeifntiwdakdliqnqlidyiratvvgagglthlrriadlaslyqv
rtgchgptdlspvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvget
pghgvdideelaakypykpaylpvarledgtmwnw

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4k1wB (B:)
hhhhhhssglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvv
aylqehvapcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmp
lyqllggrsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrg
klyyepadaslpsvtgwdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlg
kmlepyqlfwledctpaenqeafrlvrqhtvtplavgeifntiwdakdliqnqlidyira
tvvgagglthlrriadlaslyqvrtgchgptdlspvtmgcalhfdtwvpnfgiqeymrht
eetdavfphdywfekgelfvgetpghgvdideelaakypykpaylpvarledgtmwnw

    Sequence, based on observed residues (ATOM records): (download) 
    >4k1wB (B:)
hmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmd
prriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimv
yghangsdiaetveavghyidmgykairaqtgvpgikslpsvtgwdtrkalnyvpklfee
lrktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvt
plavgeifntiwdakdliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgptd
lspvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdide
elaakypykpaylpvarledgtmwnw

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4k1wC (C:)
hhhhhhssglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvv
aylqehvapcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmp
lyqllggrsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrg
klyyepadaslpsvtgwdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlg
kmlepyqlfwledctpaenqeafrlvrqhtvtplavgeifntiwdakdliqnqlidyira
tvvgagglthlrriadlaslyqvrtgchgptdlspvtmgcalhfdtwvpnfgiqeymrht
eetdavfphdywfekgelfvgetpghgvdideelaakypykpaylpvarledgtmwnw

    Sequence, based on observed residues (ATOM records): (download) 
    >4k1wC (C:)
hmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmd
prriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimv
yghangsdiaetveavghyidmgykairaqtgvpgilpsvtgwdtrkalnyvpklfeelr
ktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvtpl
avgeifntiwdakdliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgptdls
pvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdideel
aakypykpaylpvarledgtmwnw

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4k1wD (D:)
hhhhhhssglvprgshmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvv
aylqehvapcligmdprriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmp
lyqllggrsrdgimvyghangsdiaetveavghyidmgykairaqtgvpgikdaygvgrg
klyyepadaslpsvtgwdtrkalnyvpklfeelrktygfdhhllhdghhrytpqeaanlg
kmlepyqlfwledctpaenqeafrlvrqhtvtplavgeifntiwdakdliqnqlidyira
tvvgagglthlrriadlaslyqvrtgchgptdlspvtmgcalhfdtwvpnfgiqeymrht
eetdavfphdywfekgelfvgetpghgvdideelaakypykpaylpvarledgtmwnw

    Sequence, based on observed residues (ATOM records): (download) 
    >4k1wD (D:)
hmkitaarviitcpgrnfvtlkietdqgvygigdatlngrelsvvaylqehvapcligmd
prriediwqyvyrgaywrrgpvtmraiaavdmalwdikakmagmplyqllggrsrdgimv
yghangsdiaetveavghyidmgykairaqtgvpgilpsvtgwdtrkalnyvpklfeelr
ktygfdhhllhdghhrytpqeaanlgkmlepyqlfwledctpaenqeafrlvrqhtvtpl
avgeifntiwdakdliqnqlidyiratvvgagglthlrriadlaslyqvrtgchgptdls
pvtmgcalhfdtwvpnfgiqeymrhteetdavfphdywfekgelfvgetpghgvdideel
aakypykpaylpvarledgtmwnw