A potential mechanism for Cu2+ reduction , -cleavage, and -sheet initiation within the N-terminal domain of the prion protein: Insights from density functional theory and molecular dynamics calculations

Journal of Toxicology and Environmental Health - Part A: Current Issues

Volumn 72, Issue 17-18, 2009, Pages 1040-1059

  Pushie, M Jake ^a   Vogel, Hans J ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER ION; PRION PROTEIN; REACTIVE OXYGEN METABOLITE; COPPER;

AMINO TERMINAL SEQUENCE; ARTICLE; BETA SHEET; CARBOXY TERMINAL SEQUENCE; COMPLEX FORMATION; CONCENTRATION (PARAMETERS); CREUTZFELDT JAKOB DISEASE; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PH; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CLEAVAGE; PROTEIN DOMAIN; PROTEIN FOLDING; PROTEIN STABILITY; REDUCTION; AMINO ACID SEQUENCE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HUMAN; OXIDATION REDUCTION REACTION; PRION; PROTEIN CONFORMATION; PROTEIN PROCESSING;

AMINO ACID SEQUENCE; COMPUTER SIMULATION; COPPER; HUMANS; MODELS, CHEMICAL; MODELS, MOLECULAR; OXIDATION-REDUCTION; PRIONS; PROTEIN CONFORMATION; PROTEIN PROCESSING, POST-TRANSLATIONAL;

EID: 69849104508     PISSN: 15287394     EISSN: 10872620     Source Type: Journal    
DOI: 10.1080/15287390903084389     Document Type: Article

References (2)

1. Daura, X., Gademann, K., Jaun, B., Seebach, B., van Gunsteren, W. F., and Mark, A. E. 1999. Peptide folding: When simulation meets experiment. Angew. Chem. Int. Ed. 38:236-240.
2. Kabsch, W., and Sander, C. 1983. Dictionary of proteins secondary structures: Pattern recognition of hydrogen-bonded and geometerical features. Biopolymers 22:2577-2637.