Journal Article

FZJ-2015-01833

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Neutron cryo-crystallography captures the protonation state of ferryl heme in a peroxidase

Casadei, C. M. (Corresponding Author) ; Gumiero, A. ; Metcalfe, C. L. ; Murphy, E. J. ; Basran, J. ; Concilio, M. G. ; Teixeira, S. C. M. ; Schrader, T. E.FZJ* ; Fielding, A. J. ; Ostermann, A. ; Blakeley, M. P. ; Raven, E. L. ; Moody, P. C. E.

2014
American Association for the Advancement of Science64196 Washington, DC [u.a.]

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Please use a persistent id in citations: doi:10.1126/science.1254398

Abstract: Heme enzymes activate oxygen through formation of transient iron-oxo (ferryl) intermediates of the heme iron. A long-standing question has been the nature of the iron-oxygen bond and, in particular, the protonation state. We present neutron structures of the ferric derivative of cytochrome c peroxidase and its ferryl intermediate; these allow direct visualization of protonation states. We demonstrate that the ferryl heme is an Fe(IV)=O species and is not protonated. Comparison of the structures shows that the distal histidine becomes protonated on formation of the ferryl intermediate, which has implications for the understanding of O–O bond cleavage in heme enzymes. The structures highlight the advantages of neutron cryo-crystallography in probing reaction mechanisms and visualizing protonation states in enzyme intermediates.

Keyword(s): Health and Life (1st) ; Health and Life (1st) ; Life Science and Health (1st) ; Soft Condensed Matter (2nd) ; Biology (2nd)

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Contributing Institute(s):

1. JCNS-FRM-II (JCNS (München) ; Jülich Centre for Neutron Science JCNS (München) ; JCNS-FRM-II)
2. Neutronenstreuung (Neutronenstreuung ; JCNS-1)

Research Program(s):

1. 54G - JCNS (POF2-54G24) (POF2-54G24)

Experiment(s):

1. BIODIFF: Diffractometer for large unit cells (NL1)

Appears in the scientific report 2014

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Database coverage:
; BIOSIS Previews ; Current Contents - Agriculture, Biology and Environmental Sciences ; Current Contents - Life Sciences ; Current Contents - Physical, Chemical and Earth Sciences ; IF >= 30 ; JCR ; NCBI Molecular Biology Database ; National-Konsortium ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection ; Zoological Record

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