http://www.cnr.it/ontology/cnr/individuo/prodotto/ID260721
CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin (Articolo in rivista)
- Type
- Label
- CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin (Articolo in rivista) (literal)
- Anno
- 2013-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1371/journal.pone.0049770 (literal)
- Alternative label
Gabba M. [ 1 ] ; Abbruzzetti S. [ 2 ] ; Spyrakis F. [ 3,4 ] ; Forti F. [ 5,6 ] ; Bruno S. [ 7 ] ; Mozzarelli A. [ 7 ] ; Luque F. J. [ 5,6 ] ; Viappiani C. [ 2,8 ] ; Cozzini P. [ 3,4 ] ; Nardini M. [ 9,10 ] ; Germani F. [ 11 ] ; Bolognesi M. [ 9,10 ] ; Moens L. [ 11 ] ; Dewilde S. [ 11 ] (2013)
CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin
in PloS one; Public Library of Science, San Francisco, CA (Stati Uniti d'America)
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Gabba M. [ 1 ] ; Abbruzzetti S. [ 2 ] ; Spyrakis F. [ 3,4 ] ; Forti F. [ 5,6 ] ; Bruno S. [ 7 ] ; Mozzarelli A. [ 7 ] ; Luque F. J. [ 5,6 ] ; Viappiani C. [ 2,8 ] ; Cozzini P. [ 3,4 ] ; Nardini M. [ 9,10 ] ; Germani F. [ 11 ] ; Bolognesi M. [ 9,10 ] ; Moens L. [ 11 ] ; Dewilde S. [ 11 ] (literal)
- Rivista
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- [ 1 ] Forschungszentrum Julich, Inst Complex Syst Mol Biophys ICS 5, D-52425 Julich, Germany
[ 2 ] Univ Parma, Dipartimento Fis & Sci Terra, I-43100 Parma, Italy
[ 3 ] Univ Parma, Dipartimento Sci Alimenti, I-43100 Parma, Italy
[ 4 ] INBB, Rome, Italy
[ 5 ] Univ Barcelona, Fac Med, Dept Fis Quin, Barcelona 7, Spain
[ 6 ] Univ Barcelona, Fac Med, Inst Biomed IBUB, Barcelona 7, Spain
[ 7 ] Univ Parma, Dipartimento Farm, I-43100 Parma, Italy
[ 8 ] CNR, Ist Nanosci, NEST, I-56100 Pisa, Italy
[ 9 ] Univ Milan, Dipartimento BioSci, CNR IBF, Milan, Italy
[ 10 ] Univ Milan, CIMAINA, Milan, Italy
[ 11 ] Univ Antwerp, Dept Biomed Sci, B-2020 Antwerp, Belgium (literal)
- Titolo
- CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin (literal)
- Abstract
- Cytoglobin (Cygb) was recently discovered in the human genome and localized in different tissues. It was suggested to play tissue-specific protective roles, spanning from scavenging of reactive oxygen species in neurons to supplying oxygen to enzymes in fibroblasts. To shed light on the functioning of such versatile machinery, we have studied the processes supporting transport of gaseous heme ligands in Cygb. Carbon monoxide rebinding shows a complex kinetic pattern with several distinct reaction intermediates, reflecting rebinding from temporary docking sites, second order recombination, and formation (and dissociation) of a bis-histidyl heme hexacoordinated reaction intermediate. Ligand exit to the solvent occurs through distinct pathways, some of which exploit temporary docking sites. The remarkable change in energetic barriers, linked to heme bis-histidyl hexacoordination by HisE7, may be responsible for active regulation of the flux of reactants and products to and from the reaction site on the distal side of the heme. A substantial change in both protein dynamics and inner cavities is observed upon transition from the CO-liganded to the pentacoordinated and bis-histidyl hexacoordinated species, which could be exploited as a signalling state. These findings are consistent with the expected versatility of the molecular activity of this protein. (literal)
- Editore
- Prodotto di
- Autore CNR
Incoming links:
- Prodotto
- Autore CNR di
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi
- Editore di