7wy2

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
'''Unreleased structure'''
 
-
The entry 7wy2 is ON HOLD until Paper Publication
+
==Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene==
 +
<StructureSection load='7wy2' size='340' side='right'caption='[[7wy2]], [[Resolution|resolution]] 1.45&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[7wy2]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Priestia_megaterium Priestia megaterium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7WY2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WY2 FirstGlance]. <br>
 +
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=D0L:(2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic+acid'>D0L</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MI9:Oxomolybdenum+Mesoporphyrin+IX'>MI9</scene>, <scene name='pdbligand=SYN:ETHENYLBENZENE'>SYN</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=7wy2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wy2 OCA], [https://pdbe.org/7wy2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wy2 RCSB], [https://www.ebi.ac.uk/pdbsum/7wy2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wy2 ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[https://www.uniprot.org/uniprot/A0A1Q8UP87_PRIMG A0A1Q8UP87_PRIMG] Functions as a fatty acid monooxygenase.[PIRNR:PIRNR000209]
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Catching the structure of cytochrome P450 enzymes in flagrante is crucial for the development of P450 biocatalysts, as most structures collected are found trapped in a precatalytic conformation. At the heart of P450 catalysis lies Cpd I, a short-lived, highly reactive intermediate, whose recalcitrant nature has thwarted most attempts at capturing catalytically relevant poses of P450s. We report the crystal structure of P450BM3 mimicking the state in the precise moment preceding epoxidation, which is in perfect agreement with the experimentally observed stereoselectivity. This structure was attained by incorporation of the stable Cpd I mimic oxomolybdenum mesoporphyrin IX into P450BM3 in the presence of styrene. The orientation of styrene to the Mo-oxo species in the crystal structures sheds light onto the dynamics involved in the rotation of styrene to present its vinyl group to Cpd I. This method serves as a powerful tool for predicting and modelling the stereoselectivity of P450 reactions.
-
Authors: Suzuki, K., Stanfield, J.K., Shisaka, Y., Omura, K., Kasai, C., Sugimoto, H., Shoji, O.
+
A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.,Suzuki K, Stanfield JK, Omura K, Shisaka Y, Ariyasu S, Kasai C, Aiba Y, Sugimoto H, Shoji O Angew Chem Int Ed Engl. 2022 Dec 15:e202215706. doi: 10.1002/anie.202215706. PMID:36519803<ref>PMID:36519803</ref>
-
Description: Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-
[[Category: Unreleased Structures]]
+
</div>
-
[[Category: Stanfield, J.K]]
+
<div class="pdbe-citations 7wy2" style="background-color:#fffaf0;"></div>
-
[[Category: Sugimoto, H]]
+
== References ==
-
[[Category: Omura, K]]
+
<references/>
-
[[Category: Shisaka, Y]]
+
__TOC__
-
[[Category: Shoji, O]]
+
</StructureSection>
-
[[Category: Kasai, C]]
+
[[Category: Large Structures]]
-
[[Category: Suzuki, K]]
+
[[Category: Priestia megaterium]]
 +
[[Category: Kasai C]]
 +
[[Category: Omura K]]
 +
[[Category: Shisaka Y]]
 +
[[Category: Shoji O]]
 +
[[Category: Stanfield JK]]
 +
[[Category: Sugimoto H]]
 +
[[Category: Suzuki K]]

Revision as of 10:36, 15 February 2023

Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene

PDB ID 7wy2

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/7wy2"
Personal tools