Molecular modeling of the reductase domain to elucidate the reaction mechanism of reduction of peptidyl thioester into its corresponding alcohol in non-ribosomal peptide synthetases

BMC Structural Biology

Volumn 10, Issue , 2010, Pages

  Manavalan, Balachandran ^a   Murugapiran, Senthil K ^a   Lee, Gwang ^a,b   Choi, Sangdun ^a  

^a Ajou University   (South Korea)

^b Ajou University School of Medicine   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ALAMETHICIN; ALCOHOL; ANTIAMOEBIN I; BT PEPTIDE; CHRYSOPERMIN C; GLUTAMIC ACID; GLYCOPEPTIDOLIPID; GRAMICIDIN; HYDROXYL GROUP; LIGAND; LYNGBYATOXIN; LYS 2; MYXALAMID; MYXOCHELIN; NONRIBOSOMAL PEPTIDE SYNTHETASE; NOSTOCYCLOPEPTIDE; OXIDOREDUCTASE; OXYGEN; PEPTAIBOL; PEPTIDE; PEPTIDE SYNTHASE; PEPTIDYL CARRIER PROTEIN; PEPTIDYL THIOESTER; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; SAFRAMYCIN; THIOESTER; THIOL GROUP; TRICHOTOXIN; TYROSINE; UNCLASSIFIED DRUG; VESTITONE REDUCTASE; 2' HYDROXYISOFLAVONE REDUCTASE; 2'-HYDROXYISOFLAVONE REDUCTASE; ALCOHOL DERIVATIVE; NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; NON RIBOSOMAL PEPTIDE SYNTHASE; NON-RIBOSOMAL PEPTIDE SYNTHASE;

ARTICLE; BINDING AFFINITY; BINDING SITE; BIOSYNTHESIS; CATALYSIS; CONTROLLED STUDY; CRYSTAL STRUCTURE; DATA BASE; ELECTRON; ENZYME SUBSTRATE; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR MODEL; NONHUMAN; NUCLEOTIDE SEQUENCE; PROTEIN BINDING; PROTEIN DOMAIN; REACTION ANALYSIS; REDUCTION; THREE DIMENSIONAL IMAGING; AMINO ACID SEQUENCE; BIOCATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; ENZYME ACTIVE SITE; ENZYME SPECIFICITY; ENZYMOLOGY; METABOLISM; MOLECULAR GENETICS; OXIDATION REDUCTION REACTION; PROTEIN TERTIARY STRUCTURE; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY; TRICHODERMA;

HYPOCREA VIRENS;

ALCOHOLS; AMINO ACID SEQUENCE; BINDING SITES; BIOCATALYSIS; CATALYTIC DOMAIN; COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; NADP; OXIDATION-REDUCTION; OXIDOREDUCTASES ACTING ON CH-CH GROUP DONORS; PEPTIDE SYNTHASES; PEPTIDES; PROTEIN STRUCTURE, TERTIARY; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID; SOFTWARE; SUBSTRATE SPECIFICITY; TRICHODERMA;

EID: 77649283510     PISSN: None     EISSN: 14726807     Source Type: Journal    
DOI: 10.1186/1472-6807-10-1     Document Type: Article

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