Mechanistic details for anthraniloyl transfer in PqsD: The initial step in HHQ biosynthesis

Journal of Molecular Modeling

Volumn 20, Issue 6, 2014, Pages

  Hutter, Michael C ^a   Brengel, Christian ^b   Negri, Matthias ^b   Henn, Claudia ^b   Zimmer, Christina ^b   Hartmann, Rolf W ^a,b   Empting, Martin ^b   Steinbach, Anke ^b  

^a SAARLAND UNIVERSITY   (Germany)

^b SAARLAND UNIVERSITY   (Germany)

Author keywords

Antibacterial resistance; Electrospray ionization mass spectroscopy; Enzymatic reaction mechanism; Molecular dynamics; Quorum sensing; Semi empirical molecular orbital theory

Indexed keywords

2 HEPTYL 4 QUINOLINOL; ANTHRANILIC ACID; ANTHRANILOYL COENZYME A; ANTIBIOTIC AGENT; CARBONYL DERIVATIVE; COENZYME A; MUTANT PROTEIN; QUINOLINE DERIVATIVE; QUINOLONE; SULFUR; UNCLASSIFIED DRUG; VIRULENCE FACTOR; 3 OXOACYL ACYL CARRIER PROTEIN SYNTHASE; ANTHRANILIC ACID DERIVATIVE; ANTIINFECTIVE AGENT; BACTERIAL PROTEIN; ENZYME INHIBITOR; MY 12-62C; PROTEIN BINDING; QUINOLINOL DERIVATIVE;

ARTICLE; BIOFILM; BIOSYNTHESIS; IN VITRO STUDY; MOLECULAR DYNAMICS; MYCOBACTERIUM TUBERCULOSIS; NUCLEOPHILICITY; PRIORITY JOURNAL; PROTON TRANSPORT; PSEUDOMONAS AERUGINOSA; REACTION ANALYSIS; SEQUENCE HOMOLOGY; SIGNAL TRANSDUCTION; ANTAGONISTS AND INHIBITORS; BINDING SITE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DESIGN; DRUG EFFECTS; ELECTROSPRAY MASS SPECTROMETRY; ENZYME SPECIFICITY; ENZYMOLOGY; GENETICS; METABOLISM; MOLECULARLY TARGETED THERAPY; MUTATION; PROTEIN CONFORMATION; QUORUM SENSING; STRUCTURE ACTIVITY RELATION;

3-OXOACYL-(ACYL-CARRIER-PROTEIN) SYNTHASE; ANTI-BACTERIAL AGENTS; BACTERIAL PROTEINS; BINDING SITES; CATALYSIS; COENZYME A; COMPUTER-AIDED DESIGN; DRUG DESIGN; ENZYME INHIBITORS; HYDROXYQUINOLINES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; MOLECULAR TARGETED THERAPY; MUTATION; ORTHO-AMINOBENZOATES; PROTEIN BINDING; PROTEIN CONFORMATION; PSEUDOMONAS AERUGINOSA; QUORUM SENSING; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 84901538547     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2255-z     Document Type: Article

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