PDB entry 2i80

View 2i80 on RCSB PDB site
Description: Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
Class: ligase
Keywords: protein-inhibitor complex, LIGASE
Deposited on 2006-08-31, released 2006-09-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.19 Å
R-factor: 0.191
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: D-alanine-D-alanine ligase
    Species: Staphylococcus aureus [TaxId:1280]
    Gene: ddl, ddlA
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HEB7 (Start-355)
      • cloning artifact (356-357)
    Domains in SCOPe 2.07: d2i80a1, d2i80a2, d2i80a3
  • Chain 'B':
    Compound: D-alanine-D-alanine ligase
    Species: Staphylococcus aureus [TaxId:1280]
    Gene: ddl, ddlA
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5HEB7 (Start-355)
      • cloning artifact (356-359)
      • expression tag (358-359)
    Domains in SCOPe 2.07: d2i80b1, d2i80b2, d2i80b3
  • Heterogens: G1L, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2i80A (A:)
    mtkenicivfggksaehevsiltaqnvlnaidkdkyhvdiiyitndgdwrkqnnitaeik
    stdelhlengealeisqllkesssgqpydavfpllhgpngedgtiqglfevldvpyvgng
    vlsaassmdklvmkqlfehrglpqlpyisflrseyekyehnilklvndklnypvfvkpan
    lgssvgiskcnneaelkegikeafqfdrklvieqgvnareievavlgndypeatwpgevv
    kdvafydykskykdgkvqlqipadldedvqltlrnmaleafkatdcsglvradffvtedn
    qiyinetnampgftafsmypklwenmglsypelitklielakerhqdkqknkykidrshh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2i80A (A:)
    kenicivfggksaehevsiltaqnvlnaidkdkyhvdiiyitndgdwrkqnnitaeikst
    delhlengealeisqllkesssgqpydavfpllhgpngedgtiqglfevldvpyvgngvl
    saassmdklvmkqlfehrglpqlpyisflrseyekyehnilklvndklnypvfvkpanlg
    ssvgiskcnneaelkegikeafqfdrklvieqgvnareievavlgndypeatwpgevvkd
    vafvqlqipadldedvqltlrnmaleafkatdcsglvradffvtednqiyinetnampgf
    tafsmypklwenmglsypelitklielakerhqdkqknkykidrs
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2i80B (B:)
    mtkenicivfggksaehevsiltaqnvlnaidkdkyhvdiiyitndgdwrkqnnitaeik
    stdelhlengealeisqllkesssgqpydavfpllhgpngedgtiqglfevldvpyvgng
    vlsaassmdklvmkqlfehrglpqlpyisflrseyekyehnilklvndklnypvfvkpan
    lgssvgiskcnneaelkegikeafqfdrklvieqgvnareievavlgndypeatwpgevv
    kdvafydykskykdgkvqlqipadldedvqltlrnmaleafkatdcsglvradffvtedn
    qiyinetnampgftafsmypklwenmglsypelitklielakerhqdkqknkykidrshh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2i80B (B:)
    kenicivfggksaehevsiltaqnvlnaidkdkyhvdiiyitndgdwrkqnnitaeikst
    delhlengealeisqllkesssgqpydavfpllhgpngedgtiqglfevldvpyvgngvl
    saassmdklvmkqlfehrglpqlpyisflrseyekyehnilklvndklnypvfvkpanlg
    ssvgiskcnneaelkegikeafqfdrklvieqgvnareievavlgndypeatwpgevvkd
    vafvqlqipadldedvqltlrnmaleafkatdcsglvradffvtednqiyinetnampgf
    tafsmypklwenmglsypelitklielakerhqdkqknkykidrshh