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TitleUmbrella Sampling and X-ray Crystallographic Analysis Unveil an Arg-Asp Gate Facilitating Inhibitor Binding Inside Phosphopantetheine Adenylyltransferase Allosteric Cleft.
Journal, issue, pagesJ Phys Chem B, Vol. 122, Page 1551-1559, Year 2018
Publish dateFeb 21, 2017 (structure data deposition date)
AuthorsMondal, A. / Chatterjee, R. / Datta, S.
External linksJ Phys Chem B / PubMed:29345931
MethodsX-ray diffraction
Resolution2.593 Å
Structure data

PDB-5x6f:
Crystal structure of Phosphopantetheine adenylyltransferase from Pseudomonas aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 2.593 Å

Chemicals

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • pseudomonas aeruginosa (strain atcc 15692 / dsm 22644 / cip 104116 / jcm 14847 / lmg 12228 / 1c / prs 101 / pao1) (bacteria)
KeywordsTRANSFERASE / Phosphopantetheine adenylyltransferase / Pseudomonas aeruginosa

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