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2i66

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[[Image:2i66.gif|left|200px]]
[[Image:2i66.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2i66 |SIZE=350|CAPTION= <scene name='initialview01'>2i66</scene>, resolution 1.70&Aring;
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The line below this paragraph, containing "STRUCTURE_2i66", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=G1R:[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL+[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL+DIHYDROGEN+DIPHOSPHATE'>G1R</scene>, <scene name='pdbligand=G2R:[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL+[(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL+DIHYDROGEN+DIPHOSPHATE'>G2R</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_nucleosidase NAD(+) nucleosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.5 3.2.2.5] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= CD38 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2i66| PDB=2i66 | SCENE= }}
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|RELATEDENTRY=[[2i65|2I65]], [[2i67|2I67]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2i66 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2i66 OCA], [http://www.ebi.ac.uk/pdbsum/2i66 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2i66 RCSB]</span>
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}}
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'''Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis'''
'''Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis'''
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Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis., Liu Q, Kriksunov IA, Graeff R, Munshi C, Lee HC, Hao Q, J Biol Chem. 2006 Oct 27;281(43):32861-9. Epub 2006 Sep 2. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16951430 16951430]
Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis., Liu Q, Kriksunov IA, Graeff R, Munshi C, Lee HC, Hao Q, J Biol Chem. 2006 Oct 27;281(43):32861-9. Epub 2006 Sep 2. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16951430 16951430]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: NAD(+) nucleosidase]]
 
[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Graeff, R.]]
[[Category: Graeff, R.]]
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[[Category: Liu, Q.]]
[[Category: Liu, Q.]]
[[Category: Munshi, C.]]
[[Category: Munshi, C.]]
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[[Category: reaction intermediate]]
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[[Category: Reaction intermediate]]
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[[Category: reaction product]]
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[[Category: Reaction product]]
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[[Category: the catalytic pocket]]
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[[Category: The catalytic pocket]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 07:07:22 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:40:15 2008''
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Revision as of 04:07, 4 May 2008

Image:2i66.gif

Template:STRUCTURE 2i66

Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis


Overview

The enzymatic cleavage of the nicotinamide-glycosidic bond on nicotinamide adenine dinucleotide (NAD(+)) has been proposed to go through an oxocarbenium ion-like transition state. Because of the instability of the ionic intermediate, there has been no structural report on such a transient reactive species. Human CD38 is an ectoenzyme that can use NAD(+) to synthesize two calcium-mobilizing molecules. By using NAD(+) and a surrogate substrate, NGD(+), we captured and determined crystal structures of the enzyme complexed with an intermediate, a substrate, and a product along the reaction pathway. Our results showed that the intermediate is stabilized by polar interactions with the catalytic residue Glu(226) rather than by a covalent linkage. The polar interactions between Glu(226) and the substrate 2',3'-OH groups are essential for initiating catalysis. Ser(193) was demonstrated to have a regulative role during catalysis and is likely to be involved in intermediate stabilization. In addition, a product inhibition effect by ADP-ribose (through the reorientation of the product) or GDP-ribose (through the formation of a covalently linked GDP-ribose dimer) was observed. These structural data provide insights into the understanding of multiple catalysis and clues for drug design.

About this Structure

2I66 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis., Liu Q, Kriksunov IA, Graeff R, Munshi C, Lee HC, Hao Q, J Biol Chem. 2006 Oct 27;281(43):32861-9. Epub 2006 Sep 2. PMID:16951430 Page seeded by OCA on Sun May 4 07:07:22 2008

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