Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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MetaCyc Reaction: 1.14.13.179

Superclasses: Reactions Classified By Conversion Type Simple Reactions Chemical Reactions
Reactions Classified By Substrate Small-Molecule Reactions

EC Number: 1.14.13.179

Enzymes and Genes:
methylxanthine N3-demethylase Inferred from experiment : ndmD , ndmB ( Pseudomonas putida CBB5 )

In Pathway: caffeine degradation III (bacteria, via demethylation)

Note that this reaction equation differs from the official Enzyme Commission reaction equations for this EC number, which can be found here and here .

The reaction direction shown, that is, A + B ↔ C + D versus C + D ↔ A + B, is in accordance with the Enzyme Commission system.

Most BioCyc compounds have been protonated to a reference pH value of 7.3, and some reactions have been computationally balanced for hydrogen by adding free protons. Please see the PGDB Concepts Guide for more information.

Mass balance status: Balanced.

Enzyme Commission Primary Name: methylxanthine N3-demethylase

Enzyme Commission Synonyms: ndmB (gene name)

Standard Gibbs Free Energy (ΔrG in kcal/mol): -86.867645 Inferred by computational analysis [Latendresse13]

Enzyme Commission Summary:
A non-heme iron oxygenase. The enzyme from the bacterium Pseudomonas putida shares an NAD(P)H-FMN reductase subunit with EC 1.14.13.178, methylxanthine N1-demethylase, and has higher activity with NADH than with NADPH [Summers11]. Also demethylates caffeine and theophylline with lower efficiency. Forms part of the degradation pathway of methylxanthines.

Citations: [Summers12, Dash06]

Gene-Reaction Schematic: ?

Instance reactions of [FMNH2 + NAD(P)+ ↔ FMN + NAD(P)H + 2 H+] (1.5.1.39):
i2: NAD+ + FMNH2 ← NADH + FMN + 2 H+ (1.5.1.42)

i3: NADP+ + FMNH2 ← NADPH + FMN + 2 H+ (1.5.1.38)

Unification Links: KEGG:R07939

Relationship Links: BRENDA:EC:1.14.13.179 , ENZYME:EC:1.14.13.179 , IUBMB-ExplorEnz:EC:1.14.13.179

Credits:
Created 22-Feb-2012 by Fulcher CA , SRI International


References

Dash06: Dash SS, Gummadi SN (2006). "Catabolic pathways and biotechnological applications of microbial caffeine degradation." Biotechnol Lett 28(24);1993-2002. PMID: 17009088

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

Summers11: Summers RM, Louie TM, Yu CL, Subramanian M (2011). "Characterization of a broad-specificity non-haem iron N-demethylase from Pseudomonas putida CBB5 capable of utilizing several purine alkaloids as sole carbon and nitrogen source." Microbiology 157(Pt 2);583-92. PMID: 20966097

Summers12: Summers RM, Louie TM, Yu CL, Gakhar L, Louie KC, Subramanian M (2012). "Novel, highly specific N-demethylases enable bacteria to live on caffeine and related purine alkaloids." J Bacteriol. PMID: 22328667


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Mon Dec 22, 2014, BIOCYC13B.