Niemann-pick type C disease: A QM/MM study of conformational changes in cholesterol in the NPC1(NTD) and NPC2 binding pockets

Biochemistry

Volumn 53, Issue 41, 2014, Pages 6603-6614

  Elghobashi Meinhardt, Nadia ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING POCKETS; CONFORMATIONAL CHANGE; NIEMANN-PICK TYPE C;

AMINO ACID; CHOLESTEROL; HYDROGEN; LIGAND; MUTANT PROTEIN; CARRIER PROTEIN; GLYCOPROTEIN; MEMBRANE PROTEIN; NPC1 PROTEIN, HUMAN; NPC2 PROTEIN, HUMAN;

AMINO TERMINAL SEQUENCE; ARTICLE; BINDING SITE; CHOLESTEROL TRANSPORT; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DISSOCIATION; HYDROGEN BOND; HYDROPHOBICITY; INTRACELLULAR SPACE; ISOMERIZATION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NIEMANN PICK DISEASE; PROTEIN BINDING; PROTEIN PROTEIN INTERACTION; QUANTUM MECHANICS; AMINO ACID SUBSTITUTION; BIOLOGY; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; CONFORMATION; DOWN REGULATION; EXPERT SYSTEM; GENETICS; HUMAN; METABOLISM; PROTEIN DOMAIN; PROTEIN QUATERNARY STRUCTURE; QUANTUM THEORY; STEREOISOMERISM;

AMINO ACID SUBSTITUTION; BINDING SITES; CARRIER PROTEINS; CHOLESTEROL; COMPUTATIONAL BIOLOGY; DOWN-REGULATION; EXPERT SYSTEMS; GLYCOPROTEINS; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MEMBRANE GLYCOPROTEINS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MUTANT PROTEINS; NIEMANN-PICK DISEASE, TYPE C; PROTEIN INTERACTION DOMAINS AND MOTIFS; PROTEIN STRUCTURE, QUATERNARY; QUANTUM THEORY; STEREOISOMERISM;

EID: 84908110356     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi500548f     Document Type: Article

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