Molecular dynamics simulations and structure-guided mutagenesis provide insight into the architecture of the catalytic core of the ectoine hydroxylase

Journal of Molecular Biology

Volumn 426, Issue 3, 2014, Pages 586-600

  Widderich, Nils ^a,b   Pittelkow, Marco ^a   Höppner, Astrid ^c   Mulnaes, Daniel ^c   Buckel, Wolfgang ^a,b   Gohlke, Holger ^c   Smits, Sander H J ^c   Bremer, Erhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b MAX PLANCK INSTITUTE FOR TERRESTRIAL MICROBIOLOGY   (Germany)

^c HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

compatible solute; dioxygenase; ligand binding; molecular modeling; osmotic stress

Indexed keywords

2 OXOGLUTARIC ACID; 5 HYDROXYECTOINE; ECTOINE; ECTOINE HYDROXYLASE; IRON; IRON BINDING PROTEIN; OXYGENASE; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BACTERIAL STRAIN; BINDING SITE; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME ASSAY; ENZYME MECHANISM; ENZYME STRUCTURE; ESCHERICHIA COLI; HYDROXYLATION; MOLECULAR DYNAMICS; NONHUMAN; NUCLEOTIDE SEQUENCE; PRIORITY JOURNAL; SITE DIRECTED MUTAGENESIS;

VIRGIBACILLUS SALEXIGENS;

COMPATIBLE SOLUTE; DIOXYGENASE; DOUBLE-STRANDED Β-HELIX; DSBH; LIGAND BINDING; MD; MOLECULAR DYNAMICS; MOLECULAR MODELING; OSMOTIC STRESS;

AMINO ACIDS, DIAMINO; CATALYTIC DOMAIN; IRON; KETOGLUTARIC ACIDS; MIXED FUNCTION OXYGENASES; MOLECULAR DYNAMICS SIMULATION; MUTAGENESIS, SITE-DIRECTED; MUTATION; PROTEIN CONFORMATION;

EID: 84892517929     PISSN: 00222836     EISSN: 10898638     Source Type: Journal    
DOI: 10.1016/j.jmb.2013.10.028     Document Type: Article

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