2v1k

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[[Image:2v1k.gif|left|200px]]<br /><applet load="2v1k" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2v1k.gif|left|200px]]
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caption="2v1k, resolution 1.25&Aring;" />
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'''CRYSTAL STRUCTURE OF FERROUS DEOXYMYOGLOBIN AT PH 6.8'''<br />
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{{Structure
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|PDB= 2v1k |SIZE=350|CAPTION= <scene name='initialview01'>2v1k</scene>, resolution 1.25&Aring;
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|SITE= <scene name='pdbsite=AC1:Hem+Binding+Site+For+Residue+A+1154'>AC1</scene>, <scene name='pdbsite=AC2:So4+Binding+Site+For+Residue+A+1156'>AC2</scene>, <scene name='pdbsite=AC3:So4+Binding+Site+For+Residue+A+1157'>AC3</scene>, <scene name='pdbsite=AC4:Gol+Binding+Site+For+Residue+A+1158'>AC4</scene> and <scene name='pdbsite=AC5:Gol+Binding+Site+For+Residue+A+1159'>AC5</scene>
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''CRYSTAL STRUCTURE OF FERROUS DEOXYMYOGLOBIN AT PH 6.8'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2V1K is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Equus_caballus Equus caballus] with <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=HEM:'>HEM</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Known structural/functional Sites: <scene name='pdbsite=AC1:Hem+Binding+Site+For+Residue+A+1154'>AC1</scene>, <scene name='pdbsite=AC2:So4+Binding+Site+For+Residue+A+1156'>AC2</scene>, <scene name='pdbsite=AC3:So4+Binding+Site+For+Residue+A+1157'>AC3</scene>, <scene name='pdbsite=AC4:Gol+Binding+Site+For+Residue+A+1158'>AC4</scene> and <scene name='pdbsite=AC5:Gol+Binding+Site+For+Residue+A+1159'>AC5</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2V1K OCA].
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2V1K is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Equus_caballus Equus caballus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2V1K OCA].
==Reference==
==Reference==
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Crystallographic and spectroscopic studies of peroxide-derived myoglobin compound II and occurrence of protonated FeIV O., Hersleth HP, Uchida T, Rohr AK, Teschner T, Schunemann V, Kitagawa T, Trautwein AX, Gorbitz CH, Andersson KK, J Biol Chem. 2007 Aug 10;282(32):23372-86. Epub 2007 Jun 12. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17565988 17565988]
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Crystallographic and spectroscopic studies of peroxide-derived myoglobin compound II and occurrence of protonated FeIV O., Hersleth HP, Uchida T, Rohr AK, Teschner T, Schunemann V, Kitagawa T, Trautwein AX, Gorbitz CH, Andersson KK, J Biol Chem. 2007 Aug 10;282(32):23372-86. Epub 2007 Jun 12. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17565988 17565988]
[[Category: Equus caballus]]
[[Category: Equus caballus]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: transport]]
[[Category: transport]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:52:28 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:42:20 2008''

Revision as of 16:42, 20 March 2008

Image:2v1k.gif


PDB ID 2v1k

Drag the structure with the mouse to rotate
, resolution 1.25Å
Sites: , , , and
Ligands: , and
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF FERROUS DEOXYMYOGLOBIN AT PH 6.8


Overview

High resolution crystal structures of myoglobin in the pH range 5.2-8.7 have been used as models for the peroxide-derived compound II intermediates in heme peroxidases and oxygenases. The observed Fe-O bond length (1.86-1.90 A) is consistent with that of a single bond. The compound II state of myoglobin in crystals was controlled by single-crystal microspectrophotometry before and after synchrotron data collection. We observe some radiation-induced changes in both compound II (resulting in intermediate H) and in the resting ferric state of myoglobin. These radiation-induced states are quite unstable, and compound II and ferric myoglobin are immediately regenerated through a short heating above the glass transition temperature (<1 s) of the crystals. It is unclear how this influences our compound II structures compared with the unaffected compound II, but some crystallographic data suggest that the influence on the Fe-O bond distance is minimal. Based on our crystallographic and spectroscopic data we suggest that for myoglobin the compound II intermediate consists of an Fe(IV)-O species with a single bond. The presence of Fe(IV) is indicated by a small isomer shift of delta = 0.07 mm/s from Mossbauer spectroscopy. Earlier quantum refinements (crystallographic refinement where the molecular-mechanics potential is replaced by a quantum chemical calculation) and density functional theory calculations suggest that this intermediate H species is protonated.

About this Structure

2V1K is a Single protein structure of sequence from Equus caballus. Full crystallographic information is available from OCA.

Reference

Crystallographic and spectroscopic studies of peroxide-derived myoglobin compound II and occurrence of protonated FeIV O., Hersleth HP, Uchida T, Rohr AK, Teschner T, Schunemann V, Kitagawa T, Trautwein AX, Gorbitz CH, Andersson KK, J Biol Chem. 2007 Aug 10;282(32):23372-86. Epub 2007 Jun 12. PMID:17565988

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