2j5m: Difference between revisions

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Revision as of 18:37, 20 March 2008

File:2j5m.jpg

, resolution 1.75Å

Sites:

Ligands:

, , , , , and

Activity:

Chloride peroxidase, with EC number 1.11.1.10

Coordinates:

save as pdb, mmCIF, xml

STRUCTURE OF CHLOROPEROXIDASE COMPOUND 0

OverviewOverview

We have determined the crystal structure of the chloroperoxidase (CPO) hydroperoxo reaction intermediate (CPO compound 0) at 1.75-A resolution. The intermediate was generated through controlled photoreduction of the CPO oxygen complex during x-ray data collection, which was monitored by recording of the crystal absorption spectra. Initially, the peroxo-anion species was formed and then protonated to yield compound 0. Quantum chemical calculations indicate that the peroxo-anion species is not stable and collapses instantaneously to compound 0. Compound 0 is present in the ferric low-spin doublet ground state and is characterized by a long O O bond length of 1.5 A and a Fe O bond distance of 1.8 A, which is also observed in the crystal structure.

About this StructureAbout this Structure

2J5M is a Single protein structure of sequence from Leptoxyphium fumago. Full crystallographic information is available from OCA.

ReferenceReference

Structure and quantum chemical characterization of chloroperoxidase compound 0, a common reaction intermediate of diverse heme enzymes., Kuhnel K, Derat E, Terner J, Shaik S, Schlichting I, Proc Natl Acad Sci U S A. 2007 Jan 2;104(1):99-104. Epub 2006 Dec 26. PMID:17190816

Page seeded by OCA on Thu Mar 20 17:37:32 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-[[Image:2j5m.jpg|left|200px]]<br /><applet load="2j5m" size="350" color="white" frame="true" align="right" spinBox="true"
+[[Image:2j5m.jpg|left|200px]]
-caption="2j5m, resolution 1.75&Aring;" />
-'''STRUCTURE OF CHLOROPEROXIDASE COMPOUND 0'''<br />
+ {{Structure
+|PDB= 2j5m |SIZE=350|CAPTION= <scene name='initialview01'>2j5m</scene>, resolution 1.75&Aring;
+|SITE= <scene name='pdbsite=AC1:Act+Binding+Site+For+Chain+A'>AC1</scene>
+|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=PEO:HYDROGEN+PEROXIDE'>PEO</scene> and <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>
+|ACTIVITY= [http://en.wikipedia.org/wiki/Chloride_peroxidase Chloride peroxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.10 1.11.1.10]
+|GENE=
+}}
+'''STRUCTURE OF CHLOROPEROXIDASE COMPOUND 0'''
 ==Overview==
@@ Line 7: / Line 16: @@
 ==About this Structure==
-J5M is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Leptoxyphium_fumago Leptoxyphium fumago] with <scene name='pdbligand=NAG:'>NAG</scene>, <scene name='pdbligand=MAN:'>MAN</scene>, <scene name='pdbligand=MN:'>MN</scene>, <scene name='pdbligand=ACT:'>ACT</scene>, <scene name='pdbligand=HEM:'>HEM</scene>, <scene name='pdbligand=PEO:'>PEO</scene> and <scene name='pdbligand=EDO:'>EDO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Chloride_peroxidase Chloride peroxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.10 1.11.1.10] Known structural/functional Site: <scene name='pdbsite=AC1:Act+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2J5M OCA].
+J5M is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Leptoxyphium_fumago Leptoxyphium fumago]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2J5M OCA].
 ==Reference==
-Structure and quantum chemical characterization of chloroperoxidase compound 0, a common reaction intermediate of diverse heme enzymes., Kuhnel K, Derat E, Terner J, Shaik S, Schlichting I, Proc Natl Acad Sci U S A. 2007 Jan 2;104(1):99-104. Epub 2006 Dec 26. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17190816 17190816]
+Structure and quantum chemical characterization of chloroperoxidase compound 0, a common reaction intermediate of diverse heme enzymes., Kuhnel K, Derat E, Terner J, Shaik S, Schlichting I, Proc Natl Acad Sci U S A. 2007 Jan 2;104(1):99-104. Epub 2006 Dec 26. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17190816 17190816]
 [[Category: Chloride peroxidase]]
 [[Category: Leptoxyphium fumago]]
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 [[Category: pyrrolidone carboxylic acid]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:59:27 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:37:32 2008''