{"refrec":{"BRefID":257443,"RR":"<b>Salter, M.; Blouin, G.; Soman, J.; Singleton, E.; Dewilde, S.; Moens, L.; Pesce, A.; Nardini, M.; Bolognesi, M.; Olson, J.</b> (2012). Determination of ligand pathways in globins. Apolar tunnels versus polar gates. <i>J. Biol. Chem. 287(40)</i>: 33163-33178. <a href=\"https://dx.doi.org/10.1074/jbc.M112.392258\" target=\"_blank\">https://dx.doi.org/10.1074/jbc.M112.392258</a>","BEntID":249452,"PublicFlag":1,"CheckedFlag":1,"wosflag":1,"vabbflag":1,"RefStringPartII":". <i>J. Biol. Chem. 287(40)</i>: 33163-33178. <a href=\"https://dx.doi.org/10.1074/jbc.M112.392258\" target=\"_blank\">https://dx.doi.org/10.1074/jbc.M112.392258</a>","DocTypID":8,"DocType":"Journal article","MarineFlag":1,"FreshFlag":0,"BrackishFlag":0,"TerrestrialFlag":0,"Authorstring":"Salter, M.; Blouin, G.; Soman, J.; Singleton, E.; Dewilde, S.; Moens, L.; Pesce, A.; Nardini, M.; Bolognesi, M.; Olson, J.","OrigTitleTranslFlag":0,"Authorstringtrunc":"Salter, M. <i>et al.</i>","Englishabstract":"Although molecular dynamics simulations suggest multiple interior pathways for O<sub>2</sub> entry into and exit from globins, most experiments indicate well defined single pathways. In 2001, we highlighted the effects of large-to-small amino acid replacements on rates for ligand entry and exit onto the three-dimensional structure of sperm whale myoglobin. The resultant map argued strongly for ligand movement through a short channel from the heme iron to solvent that is gated by the distal histidine (His-64(E7)) near the solvent edge of the porphyrin ring. In this work, we have applied the same mutagenesis mapping strategy to the neuronal mini-hemoglobin from <i>Cerebratulus lacteus</i> (CerHb), which has a large internal tunnel from the heme iron to the C-terminal ends of the E and H helices, a direction that is 180° opposite to the E7 channel. Detailed comparisons of the new CerHb map with expanded results for Mb show unambiguously that the dominant (>90%) ligand pathway in CerHb is through the internal tunnel, and the major (>75%) ligand pathway in Mb is through the E7 gate. These results demonstrate that: 1) mutagenesis mapping can identify internal pathways when they exist; 2) molecular dynamics simulations need to be refined to address discrepancies with experimental observations; and 3) alternative pathways have evolved in globins to meet specific physiological demands.","AbstractOtherLang":null,"BibLvlCode":"AS","StandardTitle":"Determination of ligand pathways in globins. 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