3wuy

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==Crystal structure of Nit6803==
==Crystal structure of Nit6803==
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<StructureSection load='3wuy' size='340' side='right' caption='[[3wuy]], [[Resolution|resolution]] 3.10&Aring;' scene=''>
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<StructureSection load='3wuy' size='340' side='right'caption='[[3wuy]], [[Resolution|resolution]] 3.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3wuy]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WUY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WUY FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3wuy]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Synechocystis_sp._PCC_6803_substr._Kazusa Synechocystis sp. PCC 6803 substr. Kazusa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WUY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WUY FirstGlance]. <br>
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</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=3wuy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wuy OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wuy RCSB], [http://www.ebi.ac.uk/pdbsum/3wuy PDBsum]</span></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 3.1&#8491;</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3wuy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wuy OCA], [https://pdbe.org/3wuy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wuy RCSB], [https://www.ebi.ac.uk/pdbsum/3wuy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wuy ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/Q55949_SYNY3 Q55949_SYNY3]
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Nitrilases are enzymes widely expressed in prokaryotes and eukaryotes that utilize a Cys-Glu-Lys catalytic triad to hydrolyze non-peptide carbon-nitrogen bonds. Nitrilase from Syechocystis sp. Strain PCC6803 (Nit6803) shows hydrolysis activity towards a broad substrate spectrum, ranging from mononitriles to dinitriles and from aromatic nitriles to aliphatic nitriles. Yet, the structural principle of the substrate specificity of this nitrilase is still unknown. We report the crystal structure of Nit6803 at 3.1A resolution and propose a structural mechanism of substrate selection. Our mutagenesis data exhibited that the aromaticity of the amino acid at position 146 of Nit6803 is absolutely required for its nitrilase activity towards any substrates tested. Moreover, molecular docking and dynamic simulation analysis indicated that the distance between the sulfhydryl group of the catalytic cysteine residue and the cyano carbon of the substrate plays a crucial role in determining the nitrilase catalytic activity of Nit6803 and its mutants towards different nitrile substrates.
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Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803.,Zhang L, Yin B, Wang C, Jiang S, Wang H, Yuan YA, Wei D J Struct Biol. 2014 Oct 17;188(2):93-101. doi: 10.1016/j.jsb.2014.10.003. PMID:25450592<ref>PMID:25450592</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Wang, C]]
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[[Category: Large Structures]]
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[[Category: Yin, B]]
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[[Category: Synechocystis sp. PCC 6803 substr. Kazusa]]
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[[Category: Yuan, Y A]]
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[[Category: Wang C]]
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[[Category: Hydrolase]]
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[[Category: Yin B]]
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[[Category: Nitrilase]]
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[[Category: Yuan YA]]

Current revision

Crystal structure of Nit6803

PDB ID 3wuy

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