2bu9

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[[Image:2bu9.gif|left|200px]]<br />
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[[Image:2bu9.gif|left|200px]]<br /><applet load="2bu9" size="450" color="white" frame="true" align="right" spinBox="true"
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<applet load="2bu9" size="450" color="white" frame="true" align="right" spinBox="true"
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caption="2bu9, resolution 1.30&Aring;" />
caption="2bu9, resolution 1.30&Aring;" />
'''ISOPENICILLIN N SYNTHASE COMPLEXED WITH L-AMINOADIPOYL-L-CYSTEINYL-L-HEXAFLUOROVALINE'''<br />
'''ISOPENICILLIN N SYNTHASE COMPLEXED WITH L-AMINOADIPOYL-L-CYSTEINYL-L-HEXAFLUOROVALINE'''<br />
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==About this Structure==
==About this Structure==
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2BU9 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Emericella_nidulans Emericella nidulans] with FE, SO4 and HFV as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Isopenicillin-N_synthase Isopenicillin-N synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.21.3.1 1.21.3.1] Structure known Active Site: AC1. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BU9 OCA].
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2BU9 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Emericella_nidulans Emericella nidulans] with FE, SO4 and HFV as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Isopenicillin-N_synthase Isopenicillin-N synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.21.3.1 1.21.3.1] Known structural/functional Site: <scene name='pdbsite=AC1:So4 Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BU9 OCA].
==Reference==
==Reference==
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[[Category: penicillin biosynthesis]]
[[Category: penicillin biosynthesis]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 5 17:48:51 2007''
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 18:58:39 2007''

Revision as of 16:48, 18 December 2007


2bu9, resolution 1.30Å

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ISOPENICILLIN N SYNTHASE COMPLEXED WITH L-AMINOADIPOYL-L-CYSTEINYL-L-HEXAFLUOROVALINE

Overview

Isopenicillin N synthase (IPNS) is a non-haem iron oxidase that catalyses, the formation of isopenicillin N from the tripeptide, delta-(L-alpha-aminoadipoyl)-L-cysteinyl-D-valine. In this report, we, describe the crystal structure of the enzyme with a non-natural, L,L,L-tripeptide substrate, delta-(L-alpha-aminoadipoyl)-L-cysteinyl-L-3,3,3,3',3',3'-hexafluorovaline, . This structure reveals a strong binding interaction of the tripeptide, within the active site and a unique conformation for the non-natural, L,L,L-diastereomer. Taken together, these findings provide a possible, rationale for the previously observed inhibitory effects of, L,L,L-tripeptide substrates on IPNS activity.

About this Structure

2BU9 is a Single protein structure of sequence from Emericella nidulans with FE, SO4 and HFV as ligands. Active as Isopenicillin-N synthase, with EC number 1.21.3.1 Known structural/functional Site: . Full crystallographic information is available from OCA.

Reference

Unique binding of a non-natural L,L,L-substrate by isopenicillin N synthase., Howard-Jones AR, Rutledge PJ, Clifton IJ, Adlington RM, Baldwin JE, Biochem Biophys Res Commun. 2005 Oct 21;336(2):702-8. PMID:16143309

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