PDB entry 3q1k

View 3q1k on RCSB PDB site
Description: The Crystal Structure of the D-alanyl-alanine Synthetase A from Salmonella enterica Typhimurium Complexed with ADP
Class: ligase
Keywords: Structural Genomics, Center for Structural Genomics of Infectious Diseases, CSGID, alpha beta sandwich, cytosol, LIGASE
Deposited on 2010-12-17, released 2011-01-12
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-01-12, with a file datestamp of 2011-01-07.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.178
AEROSPACI score: 0.4 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: D-alanine--D-alanine ligase A
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: ddl, ddlA, STM0380
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q1ka1, d3q1ka2
  • Chain 'B':
    Compound: D-alanine--D-alanine ligase A
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: ddl, ddlA, STM0380
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q1kb1, d3q1kb2
  • Chain 'C':
    Compound: D-alanine--D-alanine ligase A
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: ddl, ddlA, STM0380
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q1kc1, d3q1kc2
  • Chain 'D':
    Compound: D-alanine--D-alanine ligase A
    Species: Salmonella enterica subsp. enterica serovar Typhimurium [TaxId:90371]
    Gene: ddl, ddlA, STM0380
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q1kd1, d3q1kd2
  • Heterogens: ADP, FMT, MG, GOL, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3q1kA (A:)
    snamaklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaeny
    lqnaddpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslq
    gmlrvanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesr
    lglplfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgnd
    npqastcgeivlnsefyaydtkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcag
    marvdvfltadnevvineintlpgftnismypklwqasglgytdlisrlielalerhtan
    nalkttm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3q1kA (A:)
    aklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqna
    ddpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgmlr
    vanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlglp
    lfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpqa
    stcgeivlnsefkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcagmarvdvflt
    adnevvineintlpgftnismypklwqasglgytdlisrlielalerhtannalktt
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3q1kB (B:)
    snamaklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaeny
    lqnaddpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslq
    gmlrvanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesr
    lglplfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgnd
    npqastcgeivlnsefyaydtkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcag
    marvdvfltadnevvineintlpgftnismypklwqasglgytdlisrlielalerhtan
    nalkttm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3q1kB (B:)
    aklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqna
    ddpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgmlr
    vanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlglp
    lfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpqa
    stcgeivlaqvvvpaqipsevndkiraiaiqayqtlgcagmarvdvfltadnevvinein
    tlpgftnismypklwqasglgytdlisrlielalerhtannalktt
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3q1kC (C:)
    snamaklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaeny
    lqnaddpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslq
    gmlrvanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesr
    lglplfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgnd
    npqastcgeivlnsefyaydtkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcag
    marvdvfltadnevvineintlpgftnismypklwqasglgytdlisrlielalerhtan
    nalkttm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3q1kC (C:)
    aklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqna
    ddpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgmlr
    vanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlglp
    lfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpqa
    stcgeivlvvvpaqipsevndkiraiaiqayqtlgcagmarvdvfltadnevvineintl
    pgftnismypklwqasglgytdlisrlielalerhtannalkttm
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3q1kD (D:)
    snamaklrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaeny
    lqnaddpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslq
    gmlrvanlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesr
    lglplfvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgnd
    npqastcgeivlnsefyaydtkyiddngaqvvvpaqipsevndkiraiaiqayqtlgcag
    marvdvfltadnevvineintlpgftnismypklwqasglgytdlisrlielalerhtan
    nalkttm
    

    Sequence, based on observed residues (ATOM records): (download)
    >3q1kD (D:)
    klrvgivfggksaehevslqsaknivdaidktrfdvvllgidkagqwhvndaenylqnad
    dpahialrpsaislaqvpgkhqhqlinaqngqplptvdvifpivhgtlgedgslqgmlrv
    anlpfvgsdvlssaacmdkdvakrllrdaglniapfitltrtnrhafsfaevesrlglpl
    fvkpanqgssvgvskvaneaqyqqavalafefdhkvvveqgikgreiecavlgndnpqas
    tcgeivlnsefyiddngaqvvvpaqipsevndkiraiaiqayqtlgcagmarvdvfltad
    nevvineintlpgftnismypklwqasglgytdlisrlielalerhtannalktt