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6edr

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Current revision

Crystal Structure of Human CD38 in Complex with 4'-Thioribose NAD+

Structural highlights

6edr is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.4Å
Ligands:
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CD38_HUMAN Synthesizes cyclic ADP-ribose, a second messenger for glucose-induced insulin secretion. Also has cADPr hydrolase activity. Also moonlights as a receptor in cells of the immune system.

Publication Abstract from PubMed

Nicotinamide adenine dinucleotide (NAD(+)) is an essential cofactor participating in a variety of important enzyme-catalyzed physiological and pathophysiological processes. Analogues of NAD(+) provide key and valuable agents for investigating NAD(+)-dependent enzymes. In this study, we report the preparation of a novel stable NAD(+) mimic, 4'-thioribose NAD(+) (S-NAD(+)), using a facile and efficient chemoenzymatic approach. Substrate activity assays indicated the resulting S-NAD(+) is chemically inert to human CD38 and sirtuin 2 enzymes, but capable of participating in redox reactions in a manner similar to NAD(+). X-ray crystallographic analysis revealed binding of S-NAD(+) to the active site of human CD38 and critical residues involved in leaving group activation and catalysis. By more closely mimicking NAD(+) in geometry and electrostatics, the generated S-NAD(+) offers a unique and important tool that can be extended to study enzymes utilizing NAD(+).

Facile chemoenzymatic synthesis of a novel stable mimic of NAD().,Dai Z, Zhang XN, Nasertorabi F, Cheng Q, Pei H, Louie SG, Stevens RC, Zhang Y Chem Sci. 2018 Oct 15;9(44):8337-8342. doi: 10.1039/c8sc03899f. eCollection 2018 , Nov 28. PMID:30568770^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Dai Z, Zhang XN, Nasertorabi F, Cheng Q, Pei H, Louie SG, Stevens RC, Zhang Y. Facile chemoenzymatic synthesis of a novel stable mimic of NAD(). Chem Sci. 2018 Oct 15;9(44):8337-8342. doi: 10.1039/c8sc03899f. eCollection 2018 , Nov 28. PMID:30568770 doi:http://dx.doi.org/10.1039/c8sc03899f

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/6edr"

@@ Line 3: / Line 3: @@
 <StructureSection load='6edr' size='340' side='right'caption='[[6edr]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6edr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6EDR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6EDR FirstGlance]. <br>
+<table><tr><td colspan='2'>[[6edr]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6EDR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6EDR FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ZNA:[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl]+[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl+hydrogen+phosphate'>ZNA</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4&#8491;</td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CD38 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ZNA:[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl]+[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl+hydrogen+phosphate'>ZNA</scene></td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6edr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6edr OCA], [http://pdbe.org/6edr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6edr RCSB], [http://www.ebi.ac.uk/pdbsum/6edr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6edr ProSAT]</span></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6edr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6edr OCA], [https://pdbe.org/6edr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6edr RCSB], [https://www.ebi.ac.uk/pdbsum/6edr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6edr ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/CD38_HUMAN CD38_HUMAN]] Synthesizes cyclic ADP-ribose, a second messenger for glucose-induced insulin secretion. Also has cADPr hydrolase activity. Also moonlights as a receptor in cells of the immune system.
+[https://www.uniprot.org/uniprot/CD38_HUMAN CD38_HUMAN] Synthesizes cyclic ADP-ribose, a second messenger for glucose-induced insulin secretion. Also has cADPr hydrolase activity. Also moonlights as a receptor in cells of the immune system.
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 23: / Line 23: @@
 __TOC__
 </StructureSection>
-[[Category: Human]]
+[[Category: Homo sapiens]]
 [[Category: Large Structures]]
-[[Category: Cheng, Q]]
+[[Category: Cheng Q]]
-[[Category: Dai, Z]]
+[[Category: Dai Z]]
-[[Category: Louie, S G]]
+[[Category: Louie SG]]
-[[Category: Nasertorabi, F]]
+[[Category: Nasertorabi F]]
-[[Category: Pei, H]]
+[[Category: Pei H]]
-[[Category: Stevens, C R]]
+[[Category: Stevens CR]]
-[[Category: Zhang, X N]]
+[[Category: Zhang XN]]
-[[Category: Zhang, Y]]
+[[Category: Zhang Y]]
-[[Category: Cd38]]
-[[Category: Hydrolase]]
-[[Category: Hydrolase-hydrolase inhibitor complex]]
-[[Category: Inhibitor]]

6edr

From Proteopedia

Current revision

Crystal Structure of Human CD38 in Complex with 4'-Thioribose NAD+

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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