Simulated annealing exploration of an active-site tyrosine in TEM-1β-lactamase suggests the existence of alternate conformations

Proteins: Structure, Function and Genetics

Volumn 69, Issue 2, 2007, Pages 340-348

  Doucet, Nicolas ^a   Pelletier, Joelle N ^a  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

Molecular modelling; Rotameric analysis; Structure validation; Structure function relationship

Indexed keywords

BETA LACTAMASE TEM 1; CEPHALOSPORIN; PENICILLIN G; TYROSINE;

ANALYTIC METHOD; ARTICLE; BINDING AFFINITY; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; LIGAND BINDING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN CONFORMATION;

BETA-LACTAMASES; BINDING SITES; COMPUTER SIMULATION; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; SUBSTRATE SPECIFICITY; THERMODYNAMICS; TYROSINE;

EID: 34548804945     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21485     Document Type: Article

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