1nzy: Difference between revisions

From Proteopedia
Jump to navigationJump to search
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
New page: left|200px<br /><applet load="1nzy" size="450" color="white" frame="true" align="right" spinBox="true" caption="1nzy, resolution 1.8Å" /> '''4-CHLOROBENZOYL COENZ...
 
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
No edit summary
 
(14 intermediate revisions by the same user not shown)
Line 1: Line 1:
[[Image:1nzy.gif|left|200px]]<br /><applet load="1nzy" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1nzy, resolution 1.8&Aring;" />
'''4-CHLOROBENZOYL COENZYME A DEHALOGENASE FROM PSEUDOMONAS SP. STRAIN CBS-3'''<br />


==Overview==
==4-CHLOROBENZOYL COENZYME A DEHALOGENASE FROM PSEUDOMONAS SP. STRAIN CBS-3==
Here we describe the three-dimensional structure of 4-chlorobenzoyl-CoA, dehalogenase from Pseudomonas sp. strain CBS-3. This enzyme catalyzes the, hydrolysis of 4-chlorobenzoyl-CoA to 4-hydroxybenzoyl-CoA. The molecular, structure of the enzyme/4-hydroxybenzoyl-CoA complex was solved by the, techniques of multiple isomorphous replacement, solvent flattening, and, molecular averaging. Least-squares refinement of the protein model reduced, the crystallographic R factor to 18.8% for all measured X-ray data from 30, to 1.8 A resolution. The crystallographic investigation of this, dehalogenase revealed that the enzyme is a trimer. Each subunit of the, trimer folds into two distinct motifs. The larger, N-terminal domain is, characterized by 10 strands of beta-pleated sheet that form two distinct, layers which lie nearly perpendicular to one another. These layers of, beta-sheet are flanked on either side by alpha-helices. The C-terminal, domain extends away from the body of the molecule and is composed of three, amphiphilic alpha-helices. This smaller domain is primarily involved in, trimerization. The two domains of the subunit are linked together by a, cation, most likely a calcium ion. The 4-hydroxybenzoyl-CoA molecule, adopts a curved conformation within the active site such that the, 4-hydroxybenzoyl and the adenosine moieties are buried while the, pantothenate and pyrophosphate groups of the coenzyme are more solvent, exposed. From the three-dimensional structure it is clear that Asp 145, provides the side-chain carboxylate group that adds to form the, Meisenheimer intermediate and His 90 serves as the general base in the, subsequent hydrolysis step. Many of the structural principles derived from, this investigation may be directly applicable to other related enzymes, such as crotonase.
<StructureSection load='1nzy' size='340' side='right'caption='[[1nzy]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1nzy]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_sp._CBS3 Pseudomonas sp. CBS3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NZY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1NZY 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=BCA:4-HYDROXYBENZOYL+COENZYME+A'>BCA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=1nzy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nzy OCA], [https://pdbe.org/1nzy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1nzy RCSB], [https://www.ebi.ac.uk/pdbsum/1nzy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1nzy ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/CBADH_PSEUC CBADH_PSEUC] Dehalogenates 4-chlorobenzoyl-CoA, 4-iodobenzoyl-CoA and 4-bromobenzoyl-CoA, but not 4-fluorobenzoyl-CoA. Inactive towards crotonyl-CoA, alpha-methylcrotonyl-CoA and beta-methylcrotonyl-CoA.<ref>PMID:1610806</ref> <ref>PMID:7579994</ref>
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/nz/1nzy_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1nzy ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
1NZY is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_sp. Pseudomonas sp.] with CA, PO4, BCA and EDO as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/4-chlorobenzoate_dehalogenase 4-chlorobenzoate dehalogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.8.1.6 3.8.1.6] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1NZY OCA].
*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
 
== References ==
==Reference==
<references/>
Structure of 4-chlorobenzoyl coenzyme A dehalogenase determined to 1.8 A resolution: an enzyme catalyst generated via adaptive mutation., Benning MM, Taylor KL, Liu R-Q, Yang G, Xiang H, Wesenberg G, Dunaway-Mariano D, Holden HM, Biochemistry. 1996 Jun 25;35(25):8103-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8679561 8679561]
__TOC__
[[Category: 4-chlorobenzoate dehalogenase]]
</StructureSection>
[[Category: Pseudomonas sp.]]
[[Category: Large Structures]]
[[Category: Single protein]]
[[Category: Pseudomonas sp. CBS3]]
[[Category: Benning, M.M.]]
[[Category: Benning MM]]
[[Category: Holden, H.M.]]
[[Category: Holden HM]]
[[Category: BCA]]
[[Category: CA]]
[[Category: EDO]]
[[Category: PO4]]
[[Category: lyase]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 00:07:49 2007''
Retrieved from "https://proteopedia.org/1nzy"