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Structure paper

TitleBiochemical, structural, and cellular characterization of S-but-3-yn-2-ylglycine as a mechanism-based covalent inactivator of the flavoenzyme proline dehydrogenase.
Journal, issue, pagesArch. Biochem. Biophys., Vol. 765, Page 110319-110319, Year 2025
Publish dateAug 16, 2024 (structure data deposition date)
AuthorsMeeks, K.R. / Ji, J. / Scott, G.K. / Campbell, A.C. / Nix, J.C. / Tadeo, A. / Ellerby, L.M. / Benz, C.C. / Tanner, J.J.
External linksArch. Biochem. Biophys. / PubMed:39870289
MethodsX-ray diffraction
Resolution1.52 - 1.68 Å
Structure data

PDB-9d7l:
Minimal PutA proline dehydrogenase domain (design #2) covalently inactivated by (S)-but-3-yn-2-ylglycine
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-9e5w:
Proline utilization A (PutA) from Sinorhizobium meliloti inactivated by N-propargylglycine
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

Chemicals

PDB-1bc6:
7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, 20 STRUCTURES

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

ChemComp-P5F:
N-propargylglycine-modified flavin adenine dinucleotide

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-SO4:
SULFATE ION

ChemComp-MG:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

Source
  • sinorhizobium meliloti (bacteria)
KeywordsOXIDOREDUCTASE / BETA/ALPHA BARREL / FLAVOENZYME / PROLINE CATABOLISM / OXIDOREDUCTASE/INHIBITOR / OXIDOREDUCTASE-INHIBITOR complex

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