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Structure paper

TitleInhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine.
Journal, issue, pagesNat Commun, Vol. 8, Page 1939-1939, Year 2017
Publish dateSep 10, 2013 (structure data deposition date)
AuthorsBatson, S. / de Chiara, C. / Majce, V. / Lloyd, A.J. / Gobec, S. / Rea, D. / Fulop, V. / Thoroughgood, C.W. / Simmons, K.J. / Dowson, C.G. ...Batson, S. / de Chiara, C. / Majce, V. / Lloyd, A.J. / Gobec, S. / Rea, D. / Fulop, V. / Thoroughgood, C.W. / Simmons, K.J. / Dowson, C.G. / Fishwick, C.W.G. / de Carvalho, L.P.S. / Roper, D.I.
External linksNat Commun / PubMed:29208891
MethodsX-ray diffraction
Resolution1.4 - 1.65 Å
Structure data

PDB-4c5a:
The X-ray crystal structures of D-alanyl-D-alanine ligase in complex ADP and D-cycloserine phosphate
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-4c5b:
The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ATP and D-ala-D-ala
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-4c5c:
The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ADP and D-ala-D-ala
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-DS0:
[(4R)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-DAL:
D-ALANINE

ChemComp-CO3:
CARBONATE ION

ChemComp-IMD:
IMIDAZOLE

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

Source
  • escherichia coli k-12 (bacteria)
  • synthetic construct (others)
  • escherichia coli (E. coli)
KeywordsLIGASE / DDLB / ANTIBIOTIC

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