PDB entry 3r5x

View 3r5x on RCSB PDB site
Description: Crystal Structure of D-alanine--D-Alanine Ligase from Bacillus anthracis complexed with ATP
Class: Ligase
Keywords: alpha-beta structure, ligase, cytosol, Structural Genomics, Center for Structural Genomics of Infectious Diseases, CSGID
Deposited on 2011-03-20, released 2011-04-06
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-07-01, with a file datestamp of 2015-06-26.
Experiment type: XRAY
Resolution: 2 Å
R-factor: N/A
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: d-alanine--d-alanine ligase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS2435, BA_2610, ddl, ddlB, GBAA_2610
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81Q29 (3-End)
      • expression tag (0-2)
    Domains in SCOPe 2.06: d3r5xa1, d3r5xa2, d3r5xa3
  • Chain 'B':
    Compound: d-alanine--d-alanine ligase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS2435, BA_2610, ddl, ddlB, GBAA_2610
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81Q29 (3-End)
      • expression tag (2)
    Domains in SCOPe 2.06: d3r5xb1, d3r5xb2, d3r5xb3
  • Chain 'C':
    Compound: d-alanine--d-alanine ligase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS2435, BA_2610, ddl, ddlB, GBAA_2610
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81Q29 (3-306)
      • expression tag (2)
    Domains in SCOPe 2.06: d3r5xc1, d3r5xc2, d3r5xc3
  • Chain 'D':
    Compound: d-alanine--d-alanine ligase
    Species: Bacillus anthracis [TaxId:1392]
    Gene: BAS2435, BA_2610, ddl, ddlB, GBAA_2610
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q81Q29 (3-306)
      • expression tag (1-2)
    Domains in SCOPe 2.06: d3r5xd1, d3r5xd2, d3r5xd3
  • Heterogens: CA, ATP, MG, EDO, ACY, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3r5xA (A:)
    snamrigvimggvssekqvsimtgnemianldknkyeivpitlnekmdliekakdidfal
    lalhgkygedgtvqgtleslgipysgsnmlssgicmdkniskkilryegietpdwieltk
    medlnfdeldklgfplvvkpnsggssvgvkivydkdelismletvfewdsevviekyikg
    eeitcsifdgkqlpiisirhaaeffdynakyddastieevielpaelkervnkaslacyk
    alkcsvyarvdmmvkdgipyvmevntlpgmtqasllpksadaagihysklldmiietslr
    vrkeegf
    

    Sequence, based on observed residues (ATOM records): (download)
    >3r5xA (A:)
    snamrigvimggvssekqvsimtgnemianldknkyeivpitlnekmdliekakdidfal
    lalhgkygedgtvqgtleslgipysgsnmlssgicmdkniskkilryegietpdwieltk
    medlnfdeldklgfplvvkpnsvgvkivydkdelismletvfewdsevviekyikgeeit
    csifdgkqlpiisirhaaeffdynakyddastieevielpaelkervnkaslacykalkc
    svyarvdmmvkdgipyvmevntlpgmtqasllpksadaagihysklldmiietslrvrke
    eg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3r5xB (B:)
    snamrigvimggvssekqvsimtgnemianldknkyeivpitlnekmdliekakdidfal
    lalhgkygedgtvqgtleslgipysgsnmlssgicmdkniskkilryegietpdwieltk
    medlnfdeldklgfplvvkpnsggssvgvkivydkdelismletvfewdsevviekyikg
    eeitcsifdgkqlpiisirhaaeffdynakyddastieevielpaelkervnkaslacyk
    alkcsvyarvdmmvkdgipyvmevntlpgmtqasllpksadaagihysklldmiietslr
    vrkeegf
    

    Sequence, based on observed residues (ATOM records): (download)
    >3r5xB (B:)
    amrigvimggvssekqvsimtgnemianldknkyeivpitlnekmdliekakdidfalla
    lhgkygedgtvqgtleslgipysgsnmlssgicmdkniskkilryegietpdwieltkme
    dlnfdeldklgfplvvkpnsggvkivydkdelismletvfewdsevviekyikgeeitcs
    ifdgkqlpiisirhaaeffstieevielpaelkervnkaslacykalkcsvyarvdmmvk
    dgipyvmevntlpgmtqasllpksadaagihysklldmiietslrvrkeeg
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3r5xC (C:)
    snamrigvimggvssekqvsimtgnemianldknkyeivpitlnekmdliekakdidfal
    lalhgkygedgtvqgtleslgipysgsnmlssgicmdkniskkilryegietpdwieltk
    medlnfdeldklgfplvvkpnsggssvgvkivydkdelismletvfewdsevviekyikg
    eeitcsifdgkqlpiisirhaaeffdynakyddastieevielpaelkervnkaslacyk
    alkcsvyarvdmmvkdgipyvmevntlpgmtqasllpksadaagihysklldmiietslr
    vrkeegf
    

    Sequence, based on observed residues (ATOM records): (download)
    >3r5xC (C:)
    amrigvimggvssekqvsimtgnemianldknkyeivpitlnekmdliekakdidfalla
    lhgkygedgtvqgtleslgipysgsnmlssgicmdkniskkilryegietpdwieltkme
    dlnfdeldklgfplvvkpngvkivydkdelismletvfewdsevviekyikgeeitcsif
    dgkqlpiisirhtieevielpaelkervnkaslacykalkcsvyarvdmmvkdgipyvme
    vntlpgmtqasllpksadaagihysklldmiietslrvrkeegf
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3r5xD (D:)
    snamrigvimggvssekqvsimtgnemianldknkyeivpitlnekmdliekakdidfal
    lalhgkygedgtvqgtleslgipysgsnmlssgicmdkniskkilryegietpdwieltk
    medlnfdeldklgfplvvkpnsggssvgvkivydkdelismletvfewdsevviekyikg
    eeitcsifdgkqlpiisirhaaeffdynakyddastieevielpaelkervnkaslacyk
    alkcsvyarvdmmvkdgipyvmevntlpgmtqasllpksadaagihysklldmiietslr
    vrkeegf
    

    Sequence, based on observed residues (ATOM records): (download)
    >3r5xD (D:)
    namrigvimggvssekqvsimtgnemianldknkyeivpitlnekmdliekakdidfall
    alhgkygedgtvqgtleslgipysgsnmlssgicmdkniskkilryegietpdwieltkm
    edlnfdeldklgfplvvkpnsggssvgvkivydkdelismletvfewdsevviekyikge
    eitcsifdgkqlpiisirhaaeffdynakyddastieevielpaelkervnkaslacyka
    lkcsvyarvdmmvkdgipyvmevntlpgmtqasllpksadaagihysklldmiietslrv
    rkeegf