Progesterone 5β-reductases/iridoid synthases (PRISE): gatekeeper role of highly conserved phenylalanines in substrate preference and trapping is supported by molecular dynamics simulations

Journal of Biomolecular Structure and Dynamics

Volumn 34, Issue 8, 2016, Pages 1667-1680

  Petersen, Jan ^a   Lanig, Harald ^a   Munkert, Jennifer ^a   Bauer, Peter ^b   Müller Uri, Frieder ^a   Kreis, Wolfgang ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b Bionorica SE ^*  (Germany)

Author keywords

Arabidopsis thaliana; Digitalis lanata; molecular dynamics simulations; protein engineering; site directed mutagenesis; VEP1

Indexed keywords

2 CYCLOHEXENONE; ALANINE; CARBONYL DERIVATIVE; HYDROXYL GROUP; OXIDOREDUCTASE; PHENYLALANINE; PROGESTERONE; PROGESTERONE 5BETA REDUCTASE IRIDOID SYNTHASE; UNCLASSIFIED DRUG; PLANT PROTEIN; PROGESTERONE 5 BETA-REDUCTASE;

AMINO ACID SUBSTITUTION; ARABIDOPSIS THALIANA; ARTICLE; BINDING SITE; CATALYSIS; DIGITALIS LANATA; ENZYME SUBSTRATE COMPLEX; HYDROGEN BOND; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL; PROTEIN ENGINEERING; SITE DIRECTED MUTAGENESIS; CHEMISTRY; CONSERVED SEQUENCE; ENZYME ACTIVATION; ENZYME SPECIFICITY; GENETICS; METABOLISM; MOLECULAR EVOLUTION; MOLECULAR MODEL; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

CONSERVED SEQUENCE; ENZYME ACTIVATION; EVOLUTION, MOLECULAR; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MUTAGENESIS, SITE-DIRECTED; OXIDOREDUCTASES; PHENYLALANINE; PLANT PROTEINS; PROTEIN CONFORMATION; PROTEIN ENGINEERING; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 84978901291     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2015.1088797     Document Type: Article

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