Molecular dynamics simulation of the last step of a catalytic cycle: Product release from the active site of the enzyme chorismate mutase from Mycobacterium tuberculosis

Protein Science

Volumn 21, Issue 11, 2012, Pages 1672-1681

  Choutko, Alexandra ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Enzyme; Exit mechanism; Molecular dynamics simulation; Product

Indexed keywords

ARGININE; CHORISMATE MUTASE; CHORISMIC ACID; DIMER; MONOMER;

ALPHA HELIX; ARTICLE; ATOM; CATALYSIS; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME MECHANISM; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MODEL; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; PROTEIN SECONDARY STRUCTURE; X RAY CRYSTALLOGRAPHY;

BACTERIAL PROTEINS; CATALYTIC DOMAIN; CHORISMATE MUTASE; CHORISMIC ACID; CRYSTALLOGRAPHY, X-RAY; CYCLOHEXANECARBOXYLIC ACIDS; CYCLOHEXENES; MOLECULAR DYNAMICS SIMULATION; MYCOBACTERIUM TUBERCULOSIS; PROTEIN CONFORMATION;

EID: 84867666999     PISSN: 09618368     EISSN: 1469896X     Source Type: Journal    
DOI: 10.1002/pro.2143     Document Type: Article

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