Theoretical Study of Trapping Sites for Muon in the Heme Group of Cytochrome c
Abstract
We have carried out an extensive analysis for the trapping sites for muon in the heme plane of Cytochrome c using the Unrestricted Hartree-Fock Cluster Procedure. From our analysis it appears that the likely trapping sites are the four nitrogens and their two adjacent carbons on the four pyrrole rings. The presence of the imidazole and methionine ligands destroys the tetragonal symmetry and as a result of that the strengths of trapping are not the same for different pyrrole rings. The strongest trapping is still at the pyrrole nitrogen found before, the N-μ bond being directed to the vicinity of the nitrogen, N_ɛ, of the imidazole. The predicted Knight-shifts using available magnetic susceptibility data(A. Tasaki et al., Biochim. Biophys. Acta 140), 284 (1967) at (150 K, 293.15 K) are (172.7 and 88.4) ppm, experimented tests of which are awaited.
- Publication:
-
APS March Meeting Abstracts
- Pub Date:
- March 2001
- Bibcode:
- 2001APS..MARJ21013C