PDB entry 2i8c

View 2i8c on RCSB PDB site
Description: Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
Class: lyase
Keywords: d-alanine:d-alanine ligase, ADP complex, Staphylococcus aureus, LYASE
Deposited on 2006-09-01, released 2006-09-26
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.46 Å
R-factor: 0.213
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: D-alanine-D-alanine ligase
    Species: Staphylococcus aureus [TaxId:93062]
    Gene: ddl
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HEB7 (Start-355)
      • cloning artifact (356-357)
    Domains in SCOPe 2.06: d2i8ca1, d2i8ca2, d2i8ca3
  • Chain 'B':
    Compound: D-alanine-D-alanine ligase
    Species: Staphylococcus aureus [TaxId:93062]
    Gene: ddl
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HEB7 (Start-355)
      • cloning artifact (356-357)
      • expression tag (358-359)
    Domains in SCOPe 2.06: d2i8cb1, d2i8cb2, d2i8cb3
  • Heterogens: SO4, MG, ADP

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2i8cA (A:)
    mtkenicivfggksaehevsiltaqnvlnaidkdkyhvdiiyitndgdwrkqnnitaeik
    stdelhlengealeisqllkesssgqpydavfpllhgpngedgtiqglfevldvpyvgng
    vlsaassmdklvmkqlfehrglpqlpyisflrseyekyehnilklvndklnypvfvkpan
    lgssvgiskcnneaelkegikeafqfdrklvieqgvnareievavlgndypeatwpgevv
    kdvafydykskykdgkvqlqipadldedvqltlrnmaleafkatdcsglvradffvtedn
    qiyinetnampgftafsmypklwenmglsypelitklielakerhqdkqknkykidrshh
    hhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2i8cA (A:)
    kenicivfggksaehevsiltaqnvlnaidkdkyhvdiiyitndgdwrkqnnitaeikst
    delhlengealeisqllkesssgqpydavfpllhgpngedgtiqglfevldvpyvgngvl
    saassmdklvmkqlfehrglpqlpyisflrseyekyehnilklvndklnypvfvkpanlg
    ssvgiskcnneaelkegikeafqfdrklvieqgvnareievavlgndypeatwpgevvkd
    vafvqlqipadldedvqltlrnmaleafkatdcsglvradffvtednqiyinetnampgf
    tafsmypklwenmglsypelitklielakerhqdkqknkykidrs
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2i8cB (B:)
    mtkenicivfggksaehevsiltaqnvlnaidkdkyhvdiiyitndgdwrkqnnitaeik
    stdelhlengealeisqllkesssgqpydavfpllhgpngedgtiqglfevldvpyvgng
    vlsaassmdklvmkqlfehrglpqlpyisflrseyekyehnilklvndklnypvfvkpan
    lgssvgiskcnneaelkegikeafqfdrklvieqgvnareievavlgndypeatwpgevv
    kdvafydykskykdgkvqlqipadldedvqltlrnmaleafkatdcsglvradffvtedn
    qiyinetnampgftafsmypklwenmglsypelitklielakerhqdkqknkykidrshh
    hhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2i8cB (B:)
    kenicivfggksaehevsiltaqnvlnaidkdkyhvdiiyitndgdwrkqnnitaeikst
    delhlengealeisqllkesssgqpydavfpllhgpngedgtiqglfevldvpyvgngvl
    saassmdklvmkqlfehrglpqlpyisflrseyekyehnilklvndklnypvfvkpanlg
    ssvgiskcnneaelkegikeafqfdrklvieqgvnareievavlgndypeatwpgevvkd
    vafvqlqipadldedvqltlrnmaleafkatdcsglvradffvtednqiyinetnampgf
    tafsmypklwenmglsypelitklielakerhqdkqknkykidrshh