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1a80
From Proteopedia
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|PDB= 1a80 |SIZE=350|CAPTION= <scene name='initialview01'>1a80</scene>, resolution 2.1Å | |PDB= 1a80 |SIZE=350|CAPTION= <scene name='initialview01'>1a80</scene>, resolution 2.1Å | ||
|SITE= <scene name='pdbsite=CIC:The+Residue+Line+The+Active+Site+Of+Enzyme'>CIC</scene> | |SITE= <scene name='pdbsite=CIC:The+Residue+Line+The+Active+Site+Of+Enzyme'>CIC</scene> | ||
| - | |LIGAND= <scene name='pdbligand=NAP:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE'>NAP</scene> | + | |LIGAND= <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= 2 5-DIKETO-D-GLUCONIC ACID ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1720 Corynebacterium sp.]) | |GENE= 2 5-DIKETO-D-GLUCONIC ACID ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1720 Corynebacterium sp.]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1a80 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1a80 OCA], [http://www.ebi.ac.uk/pdbsum/1a80 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1a80 RCSB]</span> | ||
}} | }} | ||
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[[Category: Khurana, S.]] | [[Category: Khurana, S.]] | ||
[[Category: Powers, D B.]] | [[Category: Powers, D B.]] | ||
| - | + | [[Category: 2,5-diketo-d-gluconic acid]] | |
| - | [[Category: 2 | + | |
| - | + | ||
[[Category: alpha8/beta8 barrel]] | [[Category: alpha8/beta8 barrel]] | ||
[[Category: commercial vitamin c synthesis]] | [[Category: commercial vitamin c synthesis]] | ||
[[Category: oxidoreductase]] | [[Category: oxidoreductase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 18:35:11 2008'' |
Revision as of 15:35, 30 March 2008
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| , resolution 2.1Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | |||||||
| Gene: | 2 5-DIKETO-D-GLUCONIC ACID (Corynebacterium sp.) | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
NATIVE 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE A FROM CORYNBACTERIUM SP. COMPLEXED WITH NADPH
Overview
The three-dimensional structure of Corynebacterium 2, 5-diketo-D-gluconic acid reductase A (2,5-DKGR A; EC 1.1.1.-), in complex with cofactor NADPH, has been solved by using x-ray crystallographic data to 2.1-A resolution. This enzyme catalyzes stereospecific reduction of 2,5-diketo-D-gluconate (2,5-DKG) to 2-keto-L-gulonate. Thus the three-dimensional structure has now been solved for a prokaryotic example of the aldo-keto reductase superfamily. The details of the binding of the NADPH cofactor help to explain why 2,5-DKGR exhibits lower binding affinity for cofactor than the related human aldose reductase does. Furthermore, changes in the local loop structure near the cofactor suggest that 2,5-DKGR will not exhibit the biphasic cofactor binding characteristics observed in aldose reductase. Although the crystal structure does not include substrate, the two ordered water molecules present within the substrate-binding pocket are postulated to provide positional landmarks for the substrate 5-keto and 4-hydroxyl groups. The structural basis for several previously described active-site mutants of 2,5-DKGR A is also proposed. Recent research efforts have described a novel approach to the synthesis of L-ascorbate (vitamin C) by using a genetically engineered microorganism that is capable of synthesizing 2,5-DKG from glucose and subsequently is transformed with the gene for 2,5-DKGR. These modifications create a microorganism capable of direct production of 2-keto-L-gulonate from D-glucose, and the gulonate can subsequently be converted into vitamin C. In economic terms, vitamin C is the single most important specialty chemical manufactured in the world. Understanding the structural determinants of specificity, catalysis, and stability for 2,5-DKGR A is of substantial commercial interest.
About this Structure
1A80 is a Single protein structure of sequence from Corynebacterium sp.. Full crystallographic information is available from OCA.
Reference
Crystal structure of 2,5-diketo-D-gluconic acid reductase A complexed with NADPH at 2.1-A resolution., Khurana S, Powers DB, Anderson S, Blaber M, Proc Natl Acad Sci U S A. 1998 Jun 9;95(12):6768-73. PMID:9618487
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