Reorganization in Apo- and Holo-β-Lactoglobulin Upon Protonation of Glu89: Molecular Dynamics and pKa Calculations

Proteins: Structure, Function and Genetics

Volumn 54, Issue 4, 2004, Pages 744-758

  Eberini, Ivano ^a   Baptista, António M ^b   Gianazza, Elisabetta ^a   Fraternali, Franca ^c   Beringhelli, Tiziana ^a  

^a UNIVERSITY OF MILAN   (Italy)

^b INSTITUTO DE TECNOLOGIA QUÍMICA E BIOLÓGICA   (Portugal)

^c NATIONAL INSTITUTE FOR MEDICAL RESEARCH   (United Kingdom)

Author keywords

Electrostatics; Hydrogen bond; Linear response approximation; Palmitate; Salt bridge; Secondary structure; Tanford transition

Indexed keywords

BETA LACTOGLOBULIN; PALMITIC ACID;

AQUEOUS SOLUTION; ARTICLE; CRYSTAL STRUCTURE; ELECTRICITY; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; MONTE CARLO METHOD; PH; PKA; PRIORITY JOURNAL; PROTEIN MOTIF; PROTEIN SECONDARY STRUCTURE; PROTON TRANSPORT;

ANIMALS; APOPROTEINS; CATTLE; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ELECTROSTATICS; GLUTAMINE; LACTOGLOBULINS; MODELS, MOLECULAR; PROTEIN STRUCTURE, SECONDARY; PROTONS; THERMODYNAMICS;

CALYX;

EID: 1542316338     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10643     Document Type: Article

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