Ontology highlight
ABSTRACT:
SUBMITTER: Fernandez-Alberti S
PROVIDER: S-EPMC1544295 | biostudies-literature | 2006 Sep
REPOSITORIES: biostudies-literature
Fernandez-Alberti S S Bacelo D E DE Binning R C RC Echave J J Chergui M M Lopez-Garriga J J
Biophysical journal 20060616 5
The dynamics of Hemoglobin I (HbI) from the clam Lucina pectinata, from wild-type sperm whale (SW) myoglobin, and from the L29F/H64Q/V68F triple mutant of SW, both unligated and bound to hydrogen sulfide (H2S), have been studied in molecular dynamics simulations. Features that account for differences in H2S affinity among the three have been examined. Our results verify the existence of an unusual heme rocking motion in unligated HbI that can promote the entrance of large ligands such as H2S. Th ...[more]