6jdk

From Proteopedia

(Difference between revisions)

Current revision

Crystal structure of Baeyer-Villiger monooxygenase from Parvibaculum lavamentivorans

Structural highlights

6jdk is a 2 chain structure with sequence from Parvibaculum lavamentivorans DS-1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.495Å
Ligands:	,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

BVMO_PARL1 Catalyzes a Baeyer-Villiger oxidation reaction, i.e. the insertion of an oxygen atom into a carbon-carbon bond adjacent to a carbonyl, which converts ketones to esters or lactones using NADPH as an electron donor. Besides cycloalkanones, can use cyclic alpha,beta-unsaturated ketones as substrates, leading to enol-lactones. Can also act on methylated cycloalkanones and methylated cycloalkenones with high enantioselectivity in some cases.^[1]

Publication Abstract from PubMed

Baeyer-Villiger monooxygenase (BVMO) catalyzes insertion of an oxygen atom into aliphatic or cyclic ketones with high regioselectivity. The BVMOs from Parvibaculum lavamentivorans (BVMOParvi) and Oceanicola batsensis (BVMOOcean) are interesting because of their homologies, with >40% sequence identity, and reaction with the same cyclic ketones with a methyl moiety to give different products. The revealed BVMOParvi structure shows that BVMOParvi forms a two-domain structure like other BVMOs. It has two inserted residues, compared with BVMOOcean, that form a bulge near the bound flavin adenine dinucleotide in the active site. Furthermore, this bulge is linked to a nearby alpha-helix via a disulfide bond, probably restricting access of the bulky methyl group of the substrate to this bulge. Another sequence motif at the entrance of the active site (Ala-Ser in BVMOParvi and Ser-Thr in BVMOOcean) allows a large volume in BVMOParvi. These minute differences may discriminate a substrate orientation in both BVMOs from the initial substrate binding pocket to the final oxygenation site, resulting in the inserted oxygen atom being in different positions of the same substrate.

Structural basis for the selective addition of an oxygen atom to cyclic ketones by Baeyer-Villiger monooxygenase from Parvibaculum lavamentivorans.,Nguyen TD, Choi GE, Gu DH, Seo PW, Kim JW, Park JB, Kim JS Biochem Biophys Res Commun. 2019 Mar 23. pii: S0006-291X(19)30505-4. doi:, 10.1016/j.bbrc.2019.03.114. PMID:30914200^[2]

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

References

↑ Reignier T, de Berardinis V, Petit JL, Mariage A, Hamze K, Duquesne K, Alphand V. Broadening the scope of Baeyer-Villiger monooxygenase activities toward alpha,beta-unsaturated ketones: a promising route to chiral enol-lactones and ene-lactones. Chem Commun (Camb). 2014 Jul 25;50(58):7793-6. doi: 10.1039/c4cc02541e. PMID:24903773 doi:http://dx.doi.org/10.1039/c4cc02541e
↑ Nguyen TD, Choi GE, Gu DH, Seo PW, Kim JW, Park JB, Kim JS. Structural basis for the selective addition of an oxygen atom to cyclic ketones by Baeyer-Villiger monooxygenase from Parvibaculum lavamentivorans. Biochem Biophys Res Commun. 2019 Mar 23. pii: S0006-291X(19)30505-4. doi:, 10.1016/j.bbrc.2019.03.114. PMID:30914200 doi:http://dx.doi.org/10.1016/j.bbrc.2019.03.114

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

Proteopedia Page Contributors and Editors (what is this?)

OCA

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

Categories: Large Structures | Parvibaculum lavamentivorans DS-1 | Kim J-S | Nguyen TD

@@ Line 3: / Line 3: @@
 <StructureSection load='6jdk' size='340' side='right'caption='[[6jdk]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[6jdk]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JDK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6JDK FirstGlance]. <br>
+<table><tr><td colspan='2'>[[6jdk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Parvibaculum_lavamentivorans_DS-1 Parvibaculum lavamentivorans DS-1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JDK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6JDK FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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]] 2.495&#8491;</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=6jdk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jdk OCA], [http://pdbe.org/6jdk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6jdk RCSB], [http://www.ebi.ac.uk/pdbsum/6jdk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6jdk ProSAT]</span></td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=6jdk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jdk OCA], [https://pdbe.org/6jdk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6jdk RCSB], [https://www.ebi.ac.uk/pdbsum/6jdk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6jdk ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/BVMO_PARL1 BVMO_PARL1]] Catalyzes a Baeyer-Villiger oxidation reaction, i.e. the insertion of an oxygen atom into a carbon-carbon bond adjacent to a carbonyl, which converts ketones to esters or lactones using NADPH as an electron donor. Besides cycloalkanones, can use cyclic alpha,beta-unsaturated ketones as substrates, leading to enol-lactones. Can also act on methylated cycloalkanones and methylated cycloalkenones with high enantioselectivity in some cases.<ref>PMID:24903773</ref>
+[https://www.uniprot.org/uniprot/BVMO_PARL1 BVMO_PARL1] Catalyzes a Baeyer-Villiger oxidation reaction, i.e. the insertion of an oxygen atom into a carbon-carbon bond adjacent to a carbonyl, which converts ketones to esters or lactones using NADPH as an electron donor. Besides cycloalkanones, can use cyclic alpha,beta-unsaturated ketones as substrates, leading to enol-lactones. Can also act on methylated cycloalkanones and methylated cycloalkenones with high enantioselectivity in some cases.<ref>PMID:24903773</ref>
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 18: / Line 19: @@
 </div>
 <div class="pdbe-citations 6jdk" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Monooxygenase 3D structures|Monooxygenase 3D structures]]
 == References ==
 <references/>
@@ Line 23: / Line 27: @@
 </StructureSection>
 [[Category: Large Structures]]
-[[Category: Kim, J S]]
+[[Category: Parvibaculum lavamentivorans DS-1]]
-[[Category: Nguyen, T D]]
+[[Category: Kim J-S]]
-[[Category: Monooxygenase]]
+[[Category: Nguyen TD]]
-[[Category: Oxidoreductase]]

6jdk

From Proteopedia

Current revision

Crystal structure of Baeyer-Villiger monooxygenase from Parvibaculum lavamentivorans

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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