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TitlePhosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Journal, issue, pagesSci Rep, Vol. 11, Page 18042-18042, Year 2021
Publish dateDec 2, 2020 (structure data deposition date)
AuthorsCarivenc, C. / Maveyraud, L. / Blanger, C. / Ballereau, S. / Roy-Camille, C. / Nguyen, M.C. / Genisson, Y. / Guilhot, C. / Chalut, C. / Pedelacq, J.D. / Mourey, L.
External linksSci Rep / PubMed:34508141
MethodsX-ray diffraction
Resolution1.38 - 2.55 Å
Structure data

PDB-7b4r:
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-7b4s:
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and compound 153786 from the NCI Open Database
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-7bcz:
Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-7bdw:
Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-FD7:
N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea

ChemComp-COA:
COENZYME A

ChemComp-MN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-P62:
5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione

ChemComp-MG:
Unknown entry

ChemComp-NA:
Unknown entry

Source
  • mycobacteroides abscessus atcc 19977 (bacteria)
  • pseudomonas aeruginosa (bacteria)
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSFERASE / mycobacterium abscessus 4'-phosphopantetheinyl transferase complex / inhibition / amidino-urea / Pseudomonas aeruginosa

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