View source for 9xyw


==Crystal structure of the maize chloroplastic non-photosynthetic NADP(+)-dependent malic enzyme==
<StructureSection load='9xyw' size='340' side='right'caption='[[9xyw]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9xyw]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Zea_mays Zea mays]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9XYW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9XYW 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]] 2.55&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=PYR:PYRUVIC+ACID'>PYR</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=9xyw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9xyw OCA], [https://pdbe.org/9xyw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9xyw RCSB], [https://www.ebi.ac.uk/pdbsum/9xyw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9xyw ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A0A4Y2_MAIZE A0A4Y2_MAIZE] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
NADP-dependent malic enzyme (NADP-ME) has been repeatedly co-opted into distinct metabolic roles across plants, most prominently as the decarboxylase of NADP-ME-type C4 photosynthesis. In maize, the plastidic C4- and nonC4-NADP-ME isoforms are closely related in sequence yet display strikingly different catalytic properties, suggesting that small changes in ligand recognition can re-tune reaction chemistry. However, mechanistic interpretation has been hampered by the scarcity of plant NADP-ME structures captured in catalytically informative, ligand-bound states. Here, we integrate X-ray crystallography with structure-guided docking and atomistic molecular dynamics (MD) to resolve ligand-site interaction networks across reaction states. We determined a 2.55 A structure of maize plastidic nonC4-NADP-ME bound to NADP(+), pyruvate, and Mg(2+), revealing a conserved NADP-ME fold with localized active-site flexibility. Comparison with maize C4-NADP-ME uncovers isoform-specific rewiring of NADP(+) and pyruvate contacts, with the nonC4 enzyme forming a denser product-cofactor interaction network. To access substrate-bound states, we reconstructed malate-NADP(+)-Mg(2+) complexes by docking followed by MD, identifying distinct malate-Mg(2+) coordination geometries and alternative NADP(+) positioning between isoforms. Together, these structures and simulations provide a network-level framework for plastidic NADP-ME functional diversification and generate testable hypotheses for how ligand coordination drives isoform-specific catalysis.

Integrative crystallography and molecular dynamics reveal isoform-specific ligand interaction networks in C4 and nonC4 plant NADP-malic enzyme.,Bohm JM, Klinke S, Zamarreno F, Schneberger N, Lunari R, Saigo M, Drincovich MF, Willms S, Costabel M, Maurino VG, Alvarez CE Plant J. 2026 Aug;127(3):e71064. doi: 10.1111/tpj.71064. PMID:42531153<ref>PMID:42531153</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 9xyw" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Zea mays]]
[[Category: Alvarez CE]]
[[Category: Boehm JM]]
[[Category: Geyer M]]
[[Category: Hagelueken G]]
[[Category: Klinke S]]
[[Category: Maurino V]]
[[Category: Schneberger N]]
[[Category: Willms S]]