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Literature summary for 5.3.3.1 extracted from

  • Chakravorty, D.; Soudackov, A.; Hammes-Schiffer, S.
    Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: Analysis of hydrogen bonding, conformational motions, and electrostatics (2009), Biochemistry, 48, 10608-10619.
    View publication on PubMedView publication on EuropePMC

Organism

Organism UniProt Comment Textmining
Comamonas testosteroni P00947
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Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information the reaction occurs by a two-step general acid-base mechanism involving a dienolate intermediate. Hybrid quantum/classical molecular dynamics simulations elucidating the geometrical, conformational, and electrostatic changes occurring during the isomerization reaction catalyzed by KSI, calculation of rate constants and modeling of the KSI active site, overview. Electrostaic and conformational changes during the proton transfer reactions, rearrangements, overview Comamonas testosteroni ?
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Synonyms

Synonyms Comment Organism
DELTA5-3-ketosteroid isomerase
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Comamonas testosteroni
ketosteroid isomerase
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Comamonas testosteroni
KSI
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Comamonas testosteroni