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Literature summary for 1.14.13.25 extracted from

  • Schulz, C.E.; Castillo, R.G.; Pantazis, D.A.; DeBeer, S.; Neese, F.
    Structure-spectroscopy correlations for intermediate Q of soluble methane monooxygenase insights from QM/MM calculations (2021), J. Am. Chem. Soc., 143, 6560-6577 .
    View publication on PubMedView publication on EuropePMC

Metals/Ions

Metals/Ions Comment Organism Structure
Fe Fe(IV) diiron complexes Methylosinus trichosporium

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
methane + NAD(P)H + H+ + O2 Methylosinus trichosporium
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methanol + NAD(P)+ + H2O
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?

Organism

Organism UniProt Comment Textmining
Methylosinus trichosporium A0A2D2D5X0 AND A0A2D2D0T8 AND Q53563 AND A0A2D2D0X7 MMOH, MMOR, MMOB, and MMOD
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Reaction

Reaction Comment Organism Reaction ID
methane + NAD(P)H + H+ + O2 = methanol + NAD(P)+ + H2O reaction mechanism with transition states, MMOHred to MMOHox transitions for open cores of MMOHQ, detailed overview. The reactivity of the Fe(IV)=O unit is modulated by the ligand to the second iron Methylosinus trichosporium

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
methane + NAD(P)H + H+ + O2
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Methylosinus trichosporium methanol + NAD(P)+ + H2O
-
?

Synonyms

Synonyms Comment Organism
sMMO
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Methylosinus trichosporium
soluble methane monooxygenase
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Methylosinus trichosporium

Cofactor

Cofactor Comment Organism Structure
FAD
-
Methylosinus trichosporium
NADH
-
Methylosinus trichosporium
NADPH
-
Methylosinus trichosporium

General Information

General Information Comment Organism
additional information structure-spectroscopy correlations for intermediate Q of soluble methane monooxygenase, QM/MM calculations. Modeling of the MMOH oxidative and reductive state, Moessbauer parameters and electronic structure of MMOHox. The selection of plausible models include the following: (1) bis-mu-oxo bridged cores, (2) mu-OepsilonGlu243 bridged diamond cores, inspired from the MMOHred structure, as suggested recently, (3) mu-oxo bridged open cores, and (4) mu-OepsilonGlu243 bridged open cores. Closed- and open-core conformations for the key intermediate in sMMO. Optimized cores of eight MOHQ models are analyzed for molecular structure and electronic structure Methylosinus trichosporium