3bjk

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[[Image:3bjk.jpg|left|200px]]
[[Image:3bjk.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 3bjk |SIZE=350|CAPTION= <scene name='initialview01'>3bjk</scene>, resolution 1.900&Aring;
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The line below this paragraph, containing "STRUCTURE_3bjk", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Cit+Binding+Site+For+Residue+A+1'>AC1</scene>, <scene name='pdbsite=AC2:Cit+Binding+Site+For+Residue+D+155'>AC2</scene>, <scene name='pdbsite=AC3:Cit+Binding+Site+For+Residue+A+155'>AC3</scene>, <scene name='pdbsite=AC4:Edo+Binding+Site+For+Residue+D+156'>AC4</scene>, <scene name='pdbsite=AC5:Edo+Binding+Site+For+Residue+A+156'>AC5</scene>, <scene name='pdbsite=AC6:Edo+Binding+Site+For+Residue+B+155'>AC6</scene>, <scene name='pdbsite=AC7:Edo+Binding+Site+For+Residue+D+157'>AC7</scene>, <scene name='pdbsite=AC8:Edo+Binding+Site+For+Residue+E+155'>AC8</scene>, <scene name='pdbsite=AC9:Edo+Binding+Site+For+Residue+A+157'>AC9</scene>, <scene name='pdbsite=BC1:Edo+Binding+Site+For+Residue+D+158'>BC1</scene>, <scene name='pdbsite=BC2:Edo+Binding+Site+For+Residue+C+155'>BC2</scene>, <scene name='pdbsite=BC3:Edo+Binding+Site+For+Residue+D+159'>BC3</scene>, <scene name='pdbsite=BC4:Edo+Binding+Site+For+Residue+A+159'>BC4</scene>, <scene name='pdbsite=BC5:Edo+Binding+Site+For+Residue+F+155'>BC5</scene>, <scene name='pdbsite=BC6:Edo+Binding+Site+For+Residue+B+156'>BC6</scene>, <scene name='pdbsite=BC7:Edo+Binding+Site+For+Residue+E+156'>BC7</scene>, <scene name='pdbsite=BC8:Edo+Binding+Site+For+Residue+C+156'>BC8</scene>, <scene name='pdbsite=BC9:Edo+Binding+Site+For+Residue+A+160'>BC9</scene>, <scene name='pdbsite=CC1:Edo+Binding+Site+For+Residue+D+160'>CC1</scene>, <scene name='pdbsite=CC2:Edo+Binding+Site+For+Residue+D+161'>CC2</scene>, <scene name='pdbsite=CC3:Edo+Binding+Site+For+Residue+E+157'>CC3</scene>, <scene name='pdbsite=CC4:Edo+Binding+Site+For+Residue+A+161'>CC4</scene>, <scene name='pdbsite=CC5:Edo+Binding+Site+For+Residue+B+157'>CC5</scene>, <scene name='pdbsite=CC6:Edo+Binding+Site+For+Residue+E+158'>CC6</scene>, <scene name='pdbsite=CC7:Edo+Binding+Site+For+Residue+D+162'>CC7</scene> and <scene name='pdbsite=CC8:Edo+Binding+Site+For+Residue+B+158'>CC8</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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|GENE= HI0827 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=71421 Haemophilus influenzae Rd KW20])
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-->
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|DOMAIN=
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{{STRUCTURE_3bjk| PDB=3bjk | SCENE= }}
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|RELATEDENTRY=[[1yli|1YLI]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3bjk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bjk OCA], [http://www.ebi.ac.uk/pdbsum/3bjk PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=3bjk RCSB]</span>
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}}
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'''Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase: The Asp44Ala mutant enzyme'''
'''Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase: The Asp44Ala mutant enzyme'''
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[[Category: S2F, Structure 2.Function Project.]]
[[Category: S2F, Structure 2.Function Project.]]
[[Category: Willis, M A.]]
[[Category: Willis, M A.]]
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[[Category: hi0827]]
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[[Category: Hi0827]]
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[[Category: hotdog fold]]
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[[Category: Hotdog fold]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: s2f]]
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[[Category: S2f]]
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[[Category: structural genomic]]
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[[Category: Structural genomic]]
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[[Category: structure 2 function project]]
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[[Category: Structure 2 function project]]
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[[Category: trimer of dimer]]
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[[Category: Trimer of dimer]]
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[[Category: ycia]]
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[[Category: Ycia]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 20:51:11 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:26:57 2008''
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Revision as of 17:51, 4 May 2008

Image:3bjk.jpg

Template:STRUCTURE 3bjk

Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase: The Asp44Ala mutant enzyme


Overview

The crystal structure of HI0827 from Haemophilus influenzae Rd KW20, initially annotated "hypothetical protein" in sequence databases, exhibits an acyl-coenzyme A (acyl-CoA) thioesterase "hot dog" fold with a trimer of dimers oligomeric association, a novel assembly for this enzyme family. In studies described in the preceding paper [Zhuang, Z., Song, F., Zhao, H., Li, L., Cao, J., Eisenstein, E., Herzberg, O., and Dunaway-Mariano, D. (2008) Biochemistry 47, XXXX-XXXX], HI0827 is shown to be an acyl-CoA thioesterase that acts on a wide range of acyl-CoA compounds. Two substrate binding sites are located across the dimer interface. The binding sites are occupied by two CoA molecules, one with full occupancy and the second only partially occupied. The CoA molecules, acquired from HI0827-expressing Escherichia coli cells, remained tightly bound to the enzyme through the protein purification steps. The difference in CoA occupancies indicates a different substrate affinity for each of the binding sites, which in turn implies that the enzyme might be subject to allosteric regulation. Mutagenesis studies have shown that the replacement of the putative catalytic carboxylate Asp44 with an alanine residue abolishes activity. The impact of this mutation is seen in the crystal structure of D44A HI0827. Whereas the overall fold and assembly of the mutant protein are the same as those of the wild-type enzyme, the CoA ligands are absent. The dimer interface is perturbed, and the channel that accommodates the thioester acyl chain is more open and wider than that observed in the wild-type enzyme. A model of intact substrate bound to wild-type HI0827 provides a structural rationale for the broad substrate range.

About this Structure

3BJK is a Single protein structure of sequence from Haemophilus influenzae rd kw20. Full crystallographic information is available from OCA.

Reference

Structure of YciA from Haemophilus influenzae (HI0827), a Hexameric Broad Specificity Acyl-Coenzyme A Thioesterase(,)., Willis MA, Zhuang Z, Song F, Howard A, Dunaway-Mariano D, Herzberg O, Biochemistry. 2008 Feb 9;. PMID:18260643 Page seeded by OCA on Sun May 4 20:51:11 2008

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