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TitleImplication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile alpha-Keto-Acid Reductase.
Journal, issue, pagesBiochemistry, Vol. 63, Page 1808-1823, Year 2024
Publish dateMar 29, 2023 (structure data deposition date)
AuthorsBasu Choudhury, G. / Datta, S.
External linksBiochemistry / PubMed:38962820
MethodsX-ray diffraction
Resolution1.95 - 2.198 Å
Structure data

PDB-8iwg:
Pseudomoans Aerugiona Wildtype Ketopantoate Reductase native structure
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-8iwq:
Pseudomoans Aerugiona Native Ketopantoate Reductase with glycerol
Method: X-RAY DIFFRACTION / Resolution: 2.191 Å

PDB-8ix9:
Pseudomoans Aerugiona Wildtype Ketopantoate Reductase with NADPH
Method: X-RAY DIFFRACTION / Resolution: 2.198 Å

PDB-8ixh:
Pseudomoans aeruginosa Wildtype Ketopantoate Reductase With 3-Methyl-2-oxovalerate at substrate site
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-8ixm:
Pseudomoans Aerugiona Wildtype Ketopantoate Reductase ternary complex with NADP+ and alpha-Ketoisocaproic acid
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-FMT:
FORMIC ACID

ChemComp-1QQ:
(3S)-3-methyl-2-oxopentanoic acid

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-NHE:
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID / pH buffer*YM

ChemComp-COI:
2-OXO-4-METHYLPENTANOIC ACID

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsOXIDOREDUCTASE / PanE2 / PaKPRWT / Ketopantoate Reductase / Pantothenate pathway enzyme. / PanE / wildtype / pantothenate pathway protein. / 3-Methyl-2-oxovalerate / Pantothenate pathway enzyme / ternary complex / alpha-Ketoisocaproic acid

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