PDB entry 3i12

View 3i12 on RCSB PDB site
Description: The crystal structure of the D-alanyl-alanine synthetase A from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Class: Ligase
Keywords: D-alanyl-alanine synthetase A, ADP binding protein, CSGID, ATP-binding, Cell shape, Cell wall biogenesis/degradation, Ligase, Magnesium, Manganese, Metal-binding, Nucleotide-binding, Peptidoglycan synthesis, Structural Genomics, NIAID Structural Genomics, Center for Structural Genomics of Infectious Diseases
Deposited on 2009-06-25, released 2009-08-18
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.2
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: D-alanine-D-alanine ligase A
    Species: Salmonella typhimurium [TaxId:90371]
    Gene: ddlA, STM0380
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d3i12a1, d3i12a2
  • Chain 'B':
    Compound: D-alanine-D-alanine ligase A
    Species: Salmonella typhimurium [TaxId:90371]
    Gene: ddlA, STM0380
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d3i12b1, d3i12b2
  • Chain 'C':
    Compound: D-alanine-D-alanine ligase A
    Species: Salmonella typhimurium [TaxId:90371]
    Gene: ddlA, STM0380
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d3i12c1, d3i12c2
  • Chain 'D':
    Compound: D-alanine-D-alanine ligase A
    Species: Salmonella typhimurium [TaxId:90371]
    Gene: ddlA, STM0380
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d3i12d1, d3i12d2
  • Heterogens: ADP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3i12A (A:)
    maklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqn
    addpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgml
    rvanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlgl
    plfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpq
    astcgeivlnsefyaydtkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcagmar
    vdvfltadnevvineintlpgftnismypklwqasglgytdlisrlielalerhtannal
    kttm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3i12A (A:)
    aklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqna
    ddpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgmlr
    vanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlglp
    lfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpqa
    stcgeivlnsefydtkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcagmarvdv
    fltadnevvineintlpgftnismypklwqasglgytdlisrlielalerhtannalktt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3i12B (B:)
    maklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqn
    addpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgml
    rvanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlgl
    plfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpq
    astcgeivlnsefyaydtkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcagmar
    vdvfltadnevvineintlpgftnismypklwqasglgytdlisrlielalerhtannal
    kttm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3i12B (B:)
    maklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqn
    addpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgml
    rvanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlgl
    plfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpq
    astcgeivlqvvvpaqipsevndkiraiaiqayqtlgcagmarvdvfltadnevvinein
    tlpgftnismypklwqasglgytdlisrlielalerhtannalktt
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3i12C (C:)
    maklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqn
    addpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgml
    rvanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlgl
    plfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpq
    astcgeivlnsefyaydtkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcagmar
    vdvfltadnevvineintlpgftnismypklwqasglgytdlisrlielalerhtannal
    kttm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3i12C (C:)
    aklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqna
    ddpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgmlr
    vanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlglp
    lfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpqa
    stcgeivlgaqvvvpaqipsevndkiraiaiqayqtlgcagmarvdvfltadnevvinei
    ntlpgftnismypklwqasglgytdlisrlielalerhtannalkttm
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3i12D (D:)
    maklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqn
    addpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgml
    rvanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlgl
    plfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpq
    astcgeivlnsefyaydtkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcagmar
    vdvfltadnevvineintlpgftnismypklwqasglgytdlisrlielalerhtannal
    kttm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3i12D (D:)
    klrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqnad
    dpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgmlrv
    anlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlglpl
    fvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpqas
    tcgeivlnsefyiddngaqvvvpaqipsevndkiraiaiqayqtlgcagmarvdvfltad
    nevvineintlpgftnismypklwqasglgytdlisrlielalerhtannalktt