2og6

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(New page: 200px<br /><applet load="2og6" size="350" color="white" frame="true" align="right" spinBox="true" caption="2og6, resolution 1.916&Aring;" /> '''Crystal structure o...)
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==Overview==
==Overview==
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Non-ribosomally synthesized lipopeptide antibiotics of the daptomycin type, are known to contain unnatural beta-modified amino acids, which are, essential for bioactivity. Here we present the biochemical and structural, basis for the incorporation of 3-hydroxyasparagine at position 9 in the, 11-residue acidic lipopeptide lactone calcium-dependent antibiotic (CDA)., Direct hydroxylation of l-asparagine by AsnO, a non-heme, Fe(2+)/alpha-ketoglutarate-dependent oxygenase encoded by the CDA, biosynthesis gene cluster, was validated by Fmoc derivatization of the, reaction product and LC/MS analysis. The 1.45, 1.92, and 1.66 A crystal, structures of AsnO as apoprotein, Fe(2+) complex, and product complex, respectively, with (2S,3S)-3-hydroxyasparagine and succinate revealed the, stereoselectivity and substrate specificity of AsnO. The comparison of, native and product-complex structures of AsnO showed a lid-like region, (residues F208-E223) that seals the active site upon substrate binding and, shields it from sterically demanding peptide substrates. Accordingly, beta-hydroxylated asparagine is synthesized prior to its incorporation, into the growing CDA peptide. The AsnO structure could serve as a template, for engineering novel enzymes for the synthesis of beta-hydroxylated amino, acids.
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Non-ribosomally synthesized lipopeptide antibiotics of the daptomycin type are known to contain unnatural beta-modified amino acids, which are essential for bioactivity. Here we present the biochemical and structural basis for the incorporation of 3-hydroxyasparagine at position 9 in the 11-residue acidic lipopeptide lactone calcium-dependent antibiotic (CDA). Direct hydroxylation of l-asparagine by AsnO, a non-heme Fe(2+)/alpha-ketoglutarate-dependent oxygenase encoded by the CDA biosynthesis gene cluster, was validated by Fmoc derivatization of the reaction product and LC/MS analysis. The 1.45, 1.92, and 1.66 A crystal structures of AsnO as apoprotein, Fe(2+) complex, and product complex, respectively, with (2S,3S)-3-hydroxyasparagine and succinate revealed the stereoselectivity and substrate specificity of AsnO. The comparison of native and product-complex structures of AsnO showed a lid-like region (residues F208-E223) that seals the active site upon substrate binding and shields it from sterically demanding peptide substrates. Accordingly, beta-hydroxylated asparagine is synthesized prior to its incorporation into the growing CDA peptide. The AsnO structure could serve as a template for engineering novel enzymes for the synthesis of beta-hydroxylated amino acids.
==About this Structure==
==About this Structure==
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[[Category: Bacteria]]
[[Category: Bacteria]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: Essen, L.O.]]
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[[Category: Essen, L O.]]
[[Category: Strieker, M.]]
[[Category: Strieker, M.]]
[[Category: CL]]
[[Category: CL]]
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[[Category: nonribosomal peptide synthesis; non-heme iron(ii); alpha-ketoglutarate oxygenase; beta-hydroxylated amino acid]]
[[Category: nonribosomal peptide synthesis; non-heme iron(ii); alpha-ketoglutarate oxygenase; beta-hydroxylated amino acid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jan 29 21:10:31 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:18:09 2008''

Revision as of 16:18, 21 February 2008


2og6, resolution 1.916Å

Drag the structure with the mouse to rotate

Crystal structure of asparagine oxygenase in complex with Fe(II)

Overview

Non-ribosomally synthesized lipopeptide antibiotics of the daptomycin type are known to contain unnatural beta-modified amino acids, which are essential for bioactivity. Here we present the biochemical and structural basis for the incorporation of 3-hydroxyasparagine at position 9 in the 11-residue acidic lipopeptide lactone calcium-dependent antibiotic (CDA). Direct hydroxylation of l-asparagine by AsnO, a non-heme Fe(2+)/alpha-ketoglutarate-dependent oxygenase encoded by the CDA biosynthesis gene cluster, was validated by Fmoc derivatization of the reaction product and LC/MS analysis. The 1.45, 1.92, and 1.66 A crystal structures of AsnO as apoprotein, Fe(2+) complex, and product complex, respectively, with (2S,3S)-3-hydroxyasparagine and succinate revealed the stereoselectivity and substrate specificity of AsnO. The comparison of native and product-complex structures of AsnO showed a lid-like region (residues F208-E223) that seals the active site upon substrate binding and shields it from sterically demanding peptide substrates. Accordingly, beta-hydroxylated asparagine is synthesized prior to its incorporation into the growing CDA peptide. The AsnO structure could serve as a template for engineering novel enzymes for the synthesis of beta-hydroxylated amino acids.

About this Structure

2OG6 is a Single protein structure of sequence from Bacteria with and as ligands. Full crystallographic information is available from OCA.

Reference

Mechanistic and structural basis of stereospecific Cbeta-hydroxylation in calcium-dependent antibiotic, a daptomycin-type lipopeptide., Strieker M, Kopp F, Mahlert C, Essen LO, Marahiel MA, ACS Chem Biol. 2007 Mar 20;2(3):187-96. PMID:17373765

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