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Literature summary for 1.3.7.8 extracted from

  • Qian, H.; Liao, R.
    QM/MM study of tungsten-dependent benzoyl-coenzyme A reductase rationalization of regioselectivity and predication of W vs Mo selectivity (2018), Inorg. Chem., 57, 10667-10678 .
    View publication on PubMedView publication on EuropePMC

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Geobacter metallireducens
Tungsten required Geobacter metallireducens
Zn2+ required Geobacter metallireducens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
benzoyl-CoA + reduced ferredoxin + 2 ATP + 2 H2O Geobacter metallireducens
-
cyclohexa-1,5-diene-1-carbonyl-CoA + oxidized ferredoxin + 2 ADP + 2 phosphate
-
?

Organism

Organism UniProt Comment Textmining
Geobacter metallireducens
-
-
-

Reaction

Reaction Comment Organism Reaction ID
cyclohexa-1,5-diene-1-carbonyl-CoA + oxidized ferredoxin + 2 ADP + 2 phosphate = benzoyl-CoA + reduced ferredoxin + 2 ATP + 2 H2O reaction mechanism, quantum mechanical/molecular mechanical (QM/MM) calculations Geobacter metallireducens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
benzoyl-CoA + reduced ferredoxin + 2 ATP + 2 H2O
-
Geobacter metallireducens cyclohexa-1,5-diene-1-carbonyl-CoA + oxidized ferredoxin + 2 ADP + 2 phosphate
-
?

Synonyms

Synonyms Comment Organism
tungsten-dependent benzoyl-coenzyme A reductase
-
Geobacter metallireducens

Cofactor

Cofactor Comment Organism Structure
ATP
-
Geobacter metallireducens
Ferredoxin
-
Geobacter metallireducens

General Information

General Information Comment Organism
additional information rationalization of regioselectivity and predication of W vs Mo selectivity, analysis via quantum mechanical/molecular mechanical (QM/MM) calculations using the X-ray structure (PDB ID 4Z3Y, resolution of 2.36 A) of the tetrameric enzyme in complex with the benzoyl-CoA substrate, method optimization, overview Geobacter metallireducens