Prediction of the substrate for nonribosomal peptide synthetase (NRPS) adenylation domains by virtual screening

Proteins: Structure, Function and Bioinformatics

Volumn 83, Issue 11, 2015, Pages 2052-2066

  Lee, T Verne ^a   Johnson, Richard D ^b   Arcus, Vickery L ^a,c   Lott, J Shaun ^a  

^a UNIVERSITY OF AUCKLAND   (New Zealand)

^b AGRESEARCH GRASSLANDS   (New Zealand)

^c UNIVERSITY OF WAIKATO   (New Zealand)

Author keywords

Adenylate forming enzyme; ANL superfamily; Comparative modeling; Homology modeling; Ligand docking; Molecular dynamics; Natural product biosynthesis; Secondary metabolism; Structural bioinformatics; Substrate binding

Indexed keywords

NONRIBOSOMAL PEPTIDE SYNTHETASE; ADENOSINE PHOSPHATE; PEPTIDE SYNTHASE;

ADENYLATION; ARTICLE; BACILLUS LICHENIFORMIS; CARBOXY TERMINAL SEQUENCE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DIELECTRIC CONSTANT; ENZYME CONFORMATION; ENZYME SPECIFICITY; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NEOTYPHODIUM; NEOTYPHODIUM LOLII; NONHUMAN; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN DOMAIN; PROTON TRANSPORT; VIRTUAL REALITY; BIOLOGY; CHEMISTRY; METABOLISM; PROTEIN TERTIARY STRUCTURE;

ADENOSINE MONOPHOSPHATE; COMPUTATIONAL BIOLOGY; MOLECULAR DOCKING SIMULATION; PEPTIDE SYNTHASES; PROTEIN STRUCTURE, TERTIARY; SUBSTRATE SPECIFICITY;

EID: 84944461014     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24922     Document Type: Article

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