PDB entry 2nxi

View 2nxi on RCSB PDB site
Description: Structural and mechanistic changes along an engineered path from metallo to non-metallo KDO8P synthase.
Class: transferase
Keywords: kdo, kdo8p, kdo8ps, pep, a5p, transferase
Deposited on 2006-11-17, released 2007-07-24
The last revision prior to the SCOPe 2.05 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.207
AEROSPACI score: 0.35 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxia_
  • Chain 'B':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxib_
  • Chain 'C':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxic_
  • Chain 'D':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxid_
  • Chain 'E':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxie_
  • Chain 'F':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxif_
  • Chain 'G':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxig_
  • Chain 'H':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxih_
  • Chain 'I':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxii_
  • Chain 'J':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxij_
  • Chain 'K':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxik_
  • Chain 'L':
    Compound: 2-dehydro-3-deoxyphosphooctonate aldolase
    Species: Aquifex aeolicus [TaxId:63363]
    Gene: kdsA
    Database cross-references and differences (RAF-indexed):
    • Uniprot O66496 (Start-262)
      • engineered (8-9)
    Domains in SCOPe 2.05: d2nxil_
  • Heterogens: PO4, PEP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2nxiA (A:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiA (A:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgglgmrefifpliraavavgcdgvfmethpepekalsdastqlplsqlegii
    eaileirevaskyyeti
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2nxiB (B:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiB (B:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgglggmrefifpliraavavgcdgvfmethpepekalsdastqlplsqlegi
    ieaileirevaskyyeti
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2nxiC (C:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiC (C:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpggggmrefifpliraavavgcdgvfmethpepekalsdastqlplsqlegii
    eaileirevaskyyeti
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2nxiD (D:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiD (D:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgggmrefifpliraavavgcdgvfmethpepekalsdastqlplsqlegiie
    aileirevaskyyeti
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >2nxiE (E:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiE (E:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgggmrefifpliraavavgcdgvfmethpepekalsdastqlplsqlegiie
    aileirevaskyyeti
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2nxiF (F:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiF (F:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpggmrefifpliraavavgcdgvfmethpepekalsdastqlplsqlegiiea
    ileirevaskyyeti
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >2nxiG (G:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiG (G:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgglgdgmrefifpliraavavgcdgvfmethpepekalsdastqlplsqleg
    iieaileirevaskyyeti
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >2nxiH (H:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiH (H:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgggmrefifpliraavavgcdgvfmethpepekalsdastqlplsqlegiie
    aileirevaskyyeti
    

  • Chain 'I':
    Sequence, based on SEQRES records: (download)
    >2nxiI (I:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiI (I:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlplsq
    legiieaileirevaskyyeti
    

  • Chain 'J':
    Sequence, based on SEQRES records: (download)
    >2nxiJ (J:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiJ (J:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlplsq
    legiieaileirevaskyyeti
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >2nxiK (K:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiK (K:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgglgmrefifpliraavavgcdgvfmethpepekalsdastqlplsqlegii
    eaileirevaskyyeti
    

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >2nxiL (L:)
    ekflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgle
    ygvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgrav
    nvkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviy
    dathsvqlpgglgdksggmrefifpliraavavgcdgvfmethpepekalsdastqlpls
    qlegiieaileirevaskyyeti
    

    Sequence, based on observed residues (ATOM records): (download)
    >2nxiL (L:)
    kflviagmnaieseelllkvgeeikrlsekfkevefvfkssfdkanrssihsfrghgley
    gvkalrkvkeefglkittdiheswqaepvaevadiiqipaflcrqtdlllaaaktgravn
    vkkgqflapwdtknvveklkfggakeiyltergttfgynnlvvdfrslpimkqwakviyd
    athsvqlpgggmrefifpliraavavgcdgvfmethpepekalsdastqlplsqlegiie
    aileirevaskyyeti