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| {{STRUCTURE_2v1h| PDB=2v1h | SCENE= }} | | {{STRUCTURE_2v1h| PDB=2v1h | SCENE= }} |
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| '''CRYSTAL STRUCTURE OF RADIATION-INDUCED METMYOGLOBIN- AQUA FERROUS MYOGLOBIN AT PH 5.2'''
| | ===CRYSTAL STRUCTURE OF RADIATION-INDUCED METMYOGLOBIN- AQUA FERROUS MYOGLOBIN AT PH 5.2=== |
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| ==Overview==
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| 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.
| | The line below this paragraph, {{ABSTRACT_PUBMED_17565988}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 17565988 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_17565988}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Reaction intermediate]] | | [[Category: Reaction intermediate]] |
| [[Category: Transport]] | | [[Category: Transport]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 18:02:22 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 11:13:16 2008'' |