Reaction participants Show >> << Hide
- Name help_outline D-mannonate Identifier CHEBI:17767 Charge -1 Formula C6H11O7 InChIKeyhelp_outline RGHNJXZEOKUKBD-MBMOQRBOSA-M SMILEShelp_outline OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O 2D coordinates Mol file for the small molecule Search links Involved in 5 reaction(s) Find molecules that contain or resemble this structure Find proteins in UniProtKB for this molecule
- Name help_outline 2-dehydro-3-deoxy-D-gluconate Identifier CHEBI:57990 Charge -1 Formula C6H9O6 InChIKeyhelp_outline WPAMZTWLKIDIOP-WVZVXSGGSA-M SMILEShelp_outline OC[C@@H](O)[C@@H](O)CC(=O)C([O-])=O 2D coordinates Mol file for the small molecule Search links Involved in 11 reaction(s) Find molecules that contain or resemble this structure Find proteins in UniProtKB for this molecule
- Name help_outline H2O Identifier CHEBI:15377 (CAS: 7732-18-5) help_outline Charge 0 Formula H2O InChIKeyhelp_outline XLYOFNOQVPJJNP-UHFFFAOYSA-N SMILEShelp_outline [H]O[H] 2D coordinates Mol file for the small molecule Search links Involved in 6,337 reaction(s) Find molecules that contain or resemble this structure Find proteins in UniProtKB for this molecule
Cross-references
| RHEA:20097 | RHEA:20098 | RHEA:20099 | RHEA:20100 | |
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| Reaction direction help_outline | undefined | left-to-right | right-to-left | bidirectional |
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Publications
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Prediction of enzymatic pathways by integrative pathway mapping.
Calhoun S., Korczynska M., Wichelecki D.J., San Francisco B., Zhao S., Rodionov D.A., Vetting M.W., Al-Obaidi N.F., Lin H., O'Meara M.J., Scott D.A., Morris J.H., Russel D., Almo S.C., Osterman A.L., Gerlt J.A., Jacobson M.P., Shoichet B.K., Sali A.
The functions of most proteins are yet to be determined. The function of an enzyme is often defined by its interacting partners, including its substrate and product, and its role in larger metabolic networks. Here, we describe a computational method that predicts the functions of orphan enzymes by ... >> More
The functions of most proteins are yet to be determined. The function of an enzyme is often defined by its interacting partners, including its substrate and product, and its role in larger metabolic networks. Here, we describe a computational method that predicts the functions of orphan enzymes by organizing them into a linear metabolic pathway. Given candidate enzyme and metabolite pathway members, this aim is achieved by finding those pathways that satisfy structural and network restraints implied by varied input information, including that from virtual screening, chemoinformatics, genomic context analysis, and ligand -binding experiments. We demonstrate this integrative pathway mapping method by predicting the L-gulonate catabolic pathway in <i>Haemophilus influenzae</i> Rd KW20. The prediction was subsequently validated experimentally by enzymology, crystallography, and metabolomics. Integrative pathway mapping by satisfaction of structural and network restraints is extensible to molecular networks in general and thus formally bridges the gap between structural biology and systems biology. << Less
Elife 7:e31097-e31097(2018) [PubMed] [EuropePMC]
This publication is cited by 4 other entries.
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A new pathway of uronic acid metabolism.
ASHWELL A., WAHBA A.J., HICKMAN J.
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[Purification and properties of D-mannonate hydrolyase from Escherichia coli K12].
Robert-Baudouy J.M., Stoeber F.R.