View source for 3zwn


==Crystal structure of Aplysia cyclase complexed with substrate NGD and product cGDPR==
<StructureSection load='3zwn' size='340' side='right'caption='[[3zwn]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3zwn]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aplysia_californica Aplysia californica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ZWN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3ZWN FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CGR:CYCLIC+GUANOSINE+DIPHOSPHATE-RIBOSE'>CGR</scene>, <scene name='pdbligand=NGD:3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD+ROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-+YL]PYRIDINIUM'>NGD</scene></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=3zwn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zwn OCA], [https://pdbe.org/3zwn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3zwn RCSB], [https://www.ebi.ac.uk/pdbsum/3zwn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3zwn ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/NADA_APLCA NADA_APLCA] Synthesizes the second messagers cyclic ADP-ribose and nicotinate-adenine dinucleotide phosphate, the former a second messenger for calcium mobilization from endoplasmic reticulum. Also has cADPr hydrolase activity.<ref>PMID:11829748</ref> 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Cyclic ADP-ribose (cADPR) is a calcium messenger that can mobilize intracellular Ca(2+) stores and activate Ca(2+) influx to regulate a wide range of physiological processes. Aplysia cyclase is the first member of the ADP-ribosyl cyclases identified to catalyze the cyclization of NAD(+) into cADPR. The catalysis involves a two-step reaction, the elimination of the nicotinamide ring and the cyclization of the intermediate resulting in the covalent attachment of the purine ring to the terminal ribose. Aplysia cyclase exhibits a high degree of leniency towards the purine base of its substrate, and the cyclization reaction takes place at either the N1- or the N7-position of the purine ring. To decipher the mechanism of cyclization in Aplysia cyclase, we used a crystallization setup with multiple Aplysia cyclase molecules present in the asymmetric unit. With the use of natural substrates and analogs, not only were we able to capture multiple snapshots during enzyme catalysis resulting in either N1 or N7 linkage of the purine ring to the terminal ribose, we were also able to observe, for the first time, the cyclized products of both N1 and N7 cyclization bound in the active site of Aplysia cyclase.

Structural Studies of Intermediates along the Cyclization Pathway of Aplysia ADP-Ribosyl Cyclase.,Kotaka M, Graeff R, Chen Z, Zhang LH, Lee HC, Hao Q J Mol Biol. 2011 Nov 18. PMID:22138343<ref>PMID:22138343</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3zwn" style="background-color:#fffaf0;"></div>

==See Also==
*[[Cluster of Differentiation CD38|Cluster of Differentiation CD38]]
== References ==
<references/>
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</StructureSection>
[[Category: Aplysia californica]]
[[Category: Large Structures]]
[[Category: Graeff R]]
[[Category: Hao Q]]
[[Category: Kotaka M]]
[[Category: Lee HC]]
[[Category: Zhang LH]]