PDB entry 5lky

View 5lky on RCSB PDB site
Description: X-ray crystal structure of N-acetylneuraminic acid lyase in complex with pyruvate, with the phenylalanine at position 190 replaced with the non-canonical amino acid dihydroxypropylcysteine.
Class: lyase
Keywords: aldolase, non-canonical amino acid, TIM barrel, lyase
Deposited on 2016-07-25, released 2017-03-22
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-08-30, with a file datestamp of 2017-08-25.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: N/A
AEROSPACI score: 0.41 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: n-acetylneuraminate lyase
    Species: Staphylococcus aureus (strain NCTC 8325) [TaxId:93061]
    Gene: nanA, SAOUHSC_00295
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2G160 (Start-299)
      • engineered mutation (196)
    Domains in SCOPe 2.07: d5lkya_
  • Chain 'B':
    Compound: n-acetylneuraminate lyase
    Species: Staphylococcus aureus (strain NCTC 8325) [TaxId:93061]
    Gene: nanA, SAOUHSC_00295
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2G160 (Start-299)
      • engineered mutation (196)
    Domains in SCOPe 2.07: d5lkyb_
  • Chain 'C':
    Compound: n-acetylneuraminate lyase
    Species: Staphylococcus aureus (strain NCTC 8325) [TaxId:93061]
    Gene: nanA, SAOUHSC_00295
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2G160 (Start-299)
      • engineered mutation (196)
    Domains in SCOPe 2.07: d5lkyc_
  • Chain 'D':
    Compound: n-acetylneuraminate lyase
    Species: Staphylococcus aureus (strain NCTC 8325) [TaxId:93061]
    Gene: nanA, SAOUHSC_00295
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2G160 (Start-299)
      • engineered mutation (196)
    Domains in SCOPe 2.07: d5lkyd_
  • Heterogens: PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5lkyA (A:)
    mehhhhhhnkdlkglyaallvpfdengqvneqglkqiaqnaieteeldglyvngssgenf
    llnteqkkqvfkvakeavgdkvkliaqvgsldlneaielgkyatelgydalsavtpfyyp
    ftfeeirdyyfdiieatqnnmiiyaipdltgvnisieqfselfnhekivgvxytapnffl
    lerirkafpdklilsgxdemlvqatisgvdgaigstynvngrrarkifdlarqgqiqeay
    qlqhdsndiietvlsmgiyptlkeilrhrgidaglpkrpfkpfneahrqtldqliakydl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5lkyA (A:)
    kdlkglyaallvpfdengqvneqglkqiaqnaieteeldglyvngssgenfllnteqkkq
    vfkvakeavgdkvkliaqvgsldlneaielgkyatelgydalsavtpfyypftfeeirdy
    yfdiieatqnnmiiyaipdltgvnisieqfselfnhekivgvxytapnffllerirkafp
    dklilsgxdemlvqatisgvdgaigstynvngrrarkifdlarqgqiqeayqlqhdsndi
    ietvlsmgiyptlkeilrhrgidaglpkrpfkpfneahrqtldqliakydl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5lkyB (B:)
    mehhhhhhnkdlkglyaallvpfdengqvneqglkqiaqnaieteeldglyvngssgenf
    llnteqkkqvfkvakeavgdkvkliaqvgsldlneaielgkyatelgydalsavtpfyyp
    ftfeeirdyyfdiieatqnnmiiyaipdltgvnisieqfselfnhekivgvxytapnffl
    lerirkafpdklilsgxdemlvqatisgvdgaigstynvngrrarkifdlarqgqiqeay
    qlqhdsndiietvlsmgiyptlkeilrhrgidaglpkrpfkpfneahrqtldqliakydl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5lkyB (B:)
    dlkglyaallvpfdengqvneqglkqiaqnaieteeldglyvngssgenfllnteqkkqv
    fkvakeavgdkvkliaqvgsldlneaielgkyatelgydalsavtpfyypftfeeirdyy
    fdiieatqnnmiiyaipdltgvnisieqfselfnhekivgvxytapnffllerirkafpd
    klilsgxdemlvqatisgvdgaigstynvngrrarkifdlarqgqiqeayqlqhdsndii
    etvlsmgiyptlkeilrhrgidaglpkrpfkpfneahrqtldqliakydl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5lkyC (C:)
    mehhhhhhnkdlkglyaallvpfdengqvneqglkqiaqnaieteeldglyvngssgenf
    llnteqkkqvfkvakeavgdkvkliaqvgsldlneaielgkyatelgydalsavtpfyyp
    ftfeeirdyyfdiieatqnnmiiyaipdltgvnisieqfselfnhekivgvxytapnffl
    lerirkafpdklilsgxdemlvqatisgvdgaigstynvngrrarkifdlarqgqiqeay
    qlqhdsndiietvlsmgiyptlkeilrhrgidaglpkrpfkpfneahrqtldqliakydl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5lkyC (C:)
    kdlkglyaallvpfdengqvneqglkqiaqnaieteeldglyvngssgenfllnteqkkq
    vfkvakeavgdkvkliaqvgsldlneaielgkyatelgydalsavtpfyypftfeeirdy
    yfdiieatqnnmiiyaipdltgvnisieqfselfnhekivgvxytapnffllerirkafp
    dklilsgxdemlvqatisgvdgaigstynvngrrarkifdlarqgqiqeayqlqhdsndi
    ietvlsmgiyptlkeilrhrgidaglpkrpfkpfneahrqtldqliakydl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5lkyD (D:)
    mehhhhhhnkdlkglyaallvpfdengqvneqglkqiaqnaieteeldglyvngssgenf
    llnteqkkqvfkvakeavgdkvkliaqvgsldlneaielgkyatelgydalsavtpfyyp
    ftfeeirdyyfdiieatqnnmiiyaipdltgvnisieqfselfnhekivgvxytapnffl
    lerirkafpdklilsgxdemlvqatisgvdgaigstynvngrrarkifdlarqgqiqeay
    qlqhdsndiietvlsmgiyptlkeilrhrgidaglpkrpfkpfneahrqtldqliakydl
    

    Sequence, based on observed residues (ATOM records): (download)
    >5lkyD (D:)
    kdlkglyaallvpfdengqvneqglkqiaqnaieteeldglyvngssgenfllnteqkkq
    vfkvakeavgdkvkliaqvgsldlneaielgkyatelgydalsavtpfyypftfeeirdy
    yfdiieatqnnmiiyaipdltgvnisieqfselfnhekivgvxytapnffllerirkafp
    dklilsgxdemlvqatisgvdgaigstynvngrrarkifdlarqgqiqeayqlqhdsndi
    ietvlsmgiyptlkeilrhrgidaglpkrpfkpfneahrqtldqliakydl