PDB entry 3qke

View 3qke on RCSB PDB site
Description: Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with Mg and D-Gluconate
Class: isomerase
Keywords: enolase fold, D-MANNONATE DEHYDRATASE, D-Gluconate, ISOMERASE
Deposited on 2011-02-01, released 2012-02-01
The last revision prior to the SCOPe 2.05 freeze date was dated 2012-02-01, with a file datestamp of 2012-01-27.
Experiment type: XRAY
Resolution: 1.55 Å
R-factor: 0.181
AEROSPACI score: 0.61 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Chromohalobacter salexigens [TaxId:158080]
    Gene: Csal_2974
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q1QT89 (3-404)
      • expression tag (2)
    Domains in SCOPe 2.05: d3qkea1, d3qkea2
  • Chain 'B':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Chromohalobacter salexigens [TaxId:158080]
    Gene: Csal_2974
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q1QT89 (3-404)
      • expression tag (2)
    Domains in SCOPe 2.05: d3qkeb1, d3qkeb2
  • Chain 'C':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Chromohalobacter salexigens [TaxId:158080]
    Gene: Csal_2974
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q1QT89 (3-404)
      • expression tag (2)
    Domains in SCOPe 2.05: d3qkec1, d3qkec2
  • Chain 'D':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Chromohalobacter salexigens [TaxId:158080]
    Gene: Csal_2974
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q1QT89 (3-404)
      • expression tag (2)
    Domains in SCOPe 2.05: d3qked1, d3qked2
  • Chain 'E':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Chromohalobacter salexigens [TaxId:158080]
    Gene: Csal_2974
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q1QT89 (3-404)
      • expression tag (1-2)
    Domains in SCOPe 2.05: d3qkee1, d3qkee2
  • Chain 'F':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Chromohalobacter salexigens [TaxId:158080]
    Gene: Csal_2974
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q1QT89 (3-404)
      • expression tag (2)
    Domains in SCOPe 2.05: d3qkef1, d3qkef2
  • Chain 'G':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Chromohalobacter salexigens [TaxId:158080]
    Gene: Csal_2974
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q1QT89 (3-404)
      • expression tag (2)
    Domains in SCOPe 2.05: d3qkeg1, d3qkeg2
  • Chain 'H':
    Compound: Mandelate racemase/muconate lactonizing enzyme
    Species: Chromohalobacter salexigens [TaxId:158080]
    Gene: Csal_2974
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q1QT89 (3-404)
      • expression tag (2)
    Domains in SCOPe 2.05: d3qkeh1, d3qkeh2
  • Heterogens: GCO, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3qkeA (A:)
    mslkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligr
    dagriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervm
    tyahctgqtiedclgevarhvelgyravrvqsgvpgiettygvaktpgeryepadsslpa
    ehvwstekylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwled
    cvpaenqeslrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrr
    vadlaslyhvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrf
    edghflagespghgvdideelaakypyeraslpvnrledgtlwhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qkeA (A:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvayepadsslpaehvwstek
    ylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqe
    slrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlasly
    hvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflag
    espghgvdideelaakypyeraslpvnrledgtlwhw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3qkeB (B:)
    mslkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligr
    dagriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervm
    tyahctgqtiedclgevarhvelgyravrvqsgvpgiettygvaktpgeryepadsslpa
    ehvwstekylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwled
    cvpaenqeslrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrr
    vadlaslyhvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrf
    edghflagespghgvdideelaakypyeraslpvnrledgtlwhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qkeB (B:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvayepadsslpaehvwstek
    ylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqe
    slrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlasly
    hvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflag
    espghgvdideelaakypyeraslpvnrledgtlwhw
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3qkeC (C:)
    mslkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligr
    dagriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervm
    tyahctgqtiedclgevarhvelgyravrvqsgvpgiettygvaktpgeryepadsslpa
    ehvwstekylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwled
    cvpaenqeslrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrr
    vadlaslyhvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrf
    edghflagespghgvdideelaakypyeraslpvnrledgtlwhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qkeC (C:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvayepadsslpaehvwstek
    ylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqe
    slrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlasly
    hvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflag
    espghgvdideelaakypyeraslpvnrledgtlwhw
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3qkeD (D:)
    mslkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligr
    dagriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervm
    tyahctgqtiedclgevarhvelgyravrvqsgvpgiettygvaktpgeryepadsslpa
    ehvwstekylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwled
    cvpaenqeslrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrr
    vadlaslyhvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrf
    edghflagespghgvdideelaakypyeraslpvnrledgtlwhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qkeD (D:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvyepadsslpaehvwsteky
    lnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqes
    lrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyh
    vrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflage
    spghgvdideelaakypyeraslpvnrledgtlwhw
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3qkeE (E:)
    mslkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligr
    dagriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervm
    tyahctgqtiedclgevarhvelgyravrvqsgvpgiettygvaktpgeryepadsslpa
    ehvwstekylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwled
    cvpaenqeslrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrr
    vadlaslyhvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrf
    edghflagespghgvdideelaakypyeraslpvnrledgtlwhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qkeE (E:)
    slkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrd
    agriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmt
    yahctgqtiedclgevarhvelgyravrvqsgvpgiettygvyepadsslpaehvwstek
    ylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqe
    slrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlasly
    hvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflag
    espghgvdideelaakypyeraslpvnrledgtlwhw
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3qkeF (F:)
    mslkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligr
    dagriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervm
    tyahctgqtiedclgevarhvelgyravrvqsgvpgiettygvaktpgeryepadsslpa
    ehvwstekylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwled
    cvpaenqeslrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrr
    vadlaslyhvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrf
    edghflagespghgvdideelaakypyeraslpvnrledgtlwhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qkeF (F:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvyepadsslpaehvwsteky
    lnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqes
    lrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyh
    vrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflage
    spghgvdideelaakypyeraslpvnrledgtlwhw
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3qkeG (G:)
    mslkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligr
    dagriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervm
    tyahctgqtiedclgevarhvelgyravrvqsgvpgiettygvaktpgeryepadsslpa
    ehvwstekylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwled
    cvpaenqeslrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrr
    vadlaslyhvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrf
    edghflagespghgvdideelaakypyeraslpvnrledgtlwhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qkeG (G:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvayepadsslpaehvwstek
    ylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqe
    slrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlasly
    hvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflag
    espghgvdideelaakypyeraslpvnrledgtlwhw
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3qkeH (H:)
    mslkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligr
    dagriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervm
    tyahctgqtiedclgevarhvelgyravrvqsgvpgiettygvaktpgeryepadsslpa
    ehvwstekylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwled
    cvpaenqeslrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrr
    vadlaslyhvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrf
    edghflagespghgvdideelaakypyeraslpvnrledgtlwhw
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qkeH (H:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvayepadsslpaehvwstek
    ylnhapklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqe
    slrlirehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlasly
    hvrtgfhgptdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflag
    espghgvdideelaakypyeraslpvnrledgtlwhw