PDB entry 3qkf

View 3qkf on RCSB PDB site
Description: Crystal structure of the mutant P317A 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 2.07 freeze date was dated 2014-04-09, with a file datestamp of 2014-04-04.
Experiment type: XRAY
Resolution: 1.45 Å
R-factor: 0.201
AEROSPACI score: 0.55 (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 (1-2)
      • engineered mutation (316)
    Domains in SCOPe 2.07: d3qkfa1, d3qkfa2, d3qkfa3
  • 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)
      • engineered mutation (316)
    Domains in SCOPe 2.07: d3qkfb1, d3qkfb2, d3qkfb3
  • 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)
      • engineered mutation (316)
    Domains in SCOPe 2.07: d3qkfc1, d3qkfc2, d3qkfc3
  • 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)
      • engineered mutation (316)
    Domains in SCOPe 2.07: d3qkfd1, d3qkfd2, d3qkfd3
  • 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)
      • engineered mutation (316)
    Domains in SCOPe 2.07: d3qkfe1, d3qkfe2, d3qkfe3
  • 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)
      • engineered mutation (316)
    Domains in SCOPe 2.07: d3qkff1, d3qkff2, d3qkff3
  • 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)
      • engineered mutation (316)
    Domains in SCOPe 2.07: d3qkfg1, d3qkfg2, d3qkfg3
  • 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 (1-2)
      • engineered mutation (316)
    Domains in SCOPe 2.07: d3qkfh1, d3qkfh2, d3qkfh3
  • Heterogens: GCO, MG, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >3qkfA (A:)
    slkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrd
    agriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmt
    yahctgqtiedclgevarhvelgyravrvqsgvpgiettygvasslpaehvwstekylnh
    apklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqeslrl
    irehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyhvrt
    gfhgatdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflagespg
    hgvdideelaakypyeraslpvnrledgtlwhw
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3qkfB (B:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvaslpaehvwstekylnhap
    klfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqeslrlir
    ehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyhvrtgf
    hgatdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflagespghg
    vdideelaakypyeraslpvnrledgtlwhw
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3qkfC (C:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvasslpaehvwstekylnha
    pklfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqeslrli
    rehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyhvrtg
    fhgatdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflagespgh
    gvdideelaakypyeraslpvnrledgtlwhw
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3qkfD (D:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvslpaehvwstekylnhapk
    lfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqeslrlire
    htttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyhvrtgfh
    gatdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflagespghgv
    dideelaakypyeraslpvnrledgtlwhw
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3qkfE (E:)
    slkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrd
    agriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmt
    yahctgqtiedclgevarhvelgyravrvqsgvpgiettygvslpaehvwstekylnhap
    klfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqeslrlir
    ehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyhvrtgf
    hgatdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflagespghg
    vdideelaakypyeraslpvnrledgtlwhw
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3qkfF (F:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvslpaehvwstekylnhapk
    lfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqeslrlire
    htttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyhvrtgfh
    gatdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflagespghgv
    dideelaakypyeraslpvnrledgtlwhw
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3qkfG (G:)
    lkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrda
    griedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmty
    ahctgqtiedclgevarhvelgyravrvqsgvpgiettygvslpaehvwstekylnhapk
    lfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqeslrlire
    htttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyhvrtgfh
    gatdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflagespghgv
    dideelaakypyeraslpvnrledgtlwhw
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3qkfH (H:)
    slkirdaytivtcpgrnfvtlkivtesgthgigdatlngremavaayldehvvpaligrd
    agriedtwqylyrgaywrrgpvtmtaiaavdmalwdikakaagmplyqllggksrervmt
    yahctgqtiedclgevarhvelgyravrvqsgvpgiettygvslpaehvwstekylnhap
    klfaavrerfgddlhvlhdvhhrltpieaarlgkavepyhlfwledcvpaenqeslrlir
    ehtttplaigevfnsihdcreliqnqwidyirmplthgggitamrrvadlaslyhvrtgf
    hgatdlspvclgaaihfdtwvpnfgiqehmphtdetdavfphdyrfedghflagespghg
    vdideelaakypyeraslpvnrledgtlwhw