A DFT study of the mechanism of Ni superoxide dismutase (NiSOD): Role of the active site cysteine-6 residue in the oxidative half-reaction

Journal of Computational Chemistry

Volumn 27, Issue 12, 2006, Pages 1438-1445

  Prabhakar, Rajeev ^a   Morokuma, Keiji ^a   Musaev, Djamaladdin G ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

Cysteine 6 residue; DFT study; Ni Superoxide dusmutase

Indexed keywords

ACTIVE SITE RESIDUES; CYSTEINE-6 RESIDUE; DFT STUDY; NI SUPEROXIDE DUSMUTASE (NISOD);

AMINO ACIDS; CATALYSIS; COMPUTATIONAL METHODS; NICKEL; OXIDATION; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

ENZYME KINETICS;

CYSTEINE; NICKEL; SUPEROXIDE DISMUTASE;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; PROTEIN CONFORMATION;

AMINO ACID SEQUENCE; BINDING SITES; CYSTEINE; MODELS, MOLECULAR; NICKEL; PROTEIN CONFORMATION; SUPEROXIDE DISMUTASE;

EID: 33747190583     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20455     Document Type: Article

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