Heme distortions in sperm-whale carbonmonoxy myoglobin: correlations between rotational strengths and heme distortions in MD-generated structures

Authors :: Kiefl, Christoph
Sreerama, Narasimha
Woody, Robert W.
Haddad, Raid
Shelutt, John A.
Lisong Sun
Yan Qiu
Jentzen, Walter
Yi Lu
Source :: Journal of the American Chemical Society. April 3, 2002, Vol. 124 Issue 13, p3385, 10 p.
Publication Year :: 2002
Abstract: The effects of heme rotational isomerism in sperm-whale carbonmonoxymyoglobin using computational techniques are investigated. The results suggest that the binding site prefers a particular macro cycle confirmation, and a 180-degree rotation of the heme does not significantly alter the protein's preference for this conformation.

Subjects :: Molecular structure -- Research
Molecular rotation -- Observations
Carbon compounds -- Research
Carbon compounds -- Chemical properties
Carbon compounds -- Atomic properties
Chemistry

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