1w3v
From Proteopedia
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| - | [[Image:1w3v.gif|left|200px]]<br /> | + | [[Image:1w3v.gif|left|200px]]<br /><applet load="1w3v" size="450" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="1w3v" size="450" color="white" frame="true" align="right" spinBox="true" | + | |
caption="1w3v, resolution 1.40Å" /> | caption="1w3v, resolution 1.40Å" /> | ||
'''ISOPENICILLIN N SYNTHASE D-(L-A-AMINOADIPOYL)-(3R)-METHYL-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER COMPLEX (ANAEROBIC)'''<br /> | '''ISOPENICILLIN N SYNTHASE D-(L-A-AMINOADIPOYL)-(3R)-METHYL-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER COMPLEX (ANAEROBIC)'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1W3V 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 FE2 and MDZ 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] | + | 1W3V 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 FE2 and MDZ 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:Mdz Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1W3V OCA]. |
==Reference== | ==Reference== | ||
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[[Category: penicillin biosynthesis]] | [[Category: penicillin biosynthesis]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 18:29:35 2007'' |
Revision as of 16:19, 18 December 2007
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ISOPENICILLIN N SYNTHASE D-(L-A-AMINOADIPOYL)-(3R)-METHYL-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER COMPLEX (ANAEROBIC)
Overview
Isopenicillin N synthase (IPNS) is a non-heme iron(ii)-dependent oxidase, that is central to penicillin biosynthesis. Herein, we report mechanistic, studies of the IPNS reaction in the crystalline state, using the substrate, analogue delta-(L-alpha-aminoadipoyl)-(3R)-methyl-L-cysteine, D-alpha-hydroxyisovaleryl ester (AmCOV) to probe the early stages of the, catalytic cycle. The X-ray crystal structure of the anaerobic, IPNS:Fe(II):AmCOV complex was solved to 1.40 A resolution, and it reveals, several subtle differences in the active site relative to the complex of, the enzyme with its natural substrate. The crystalline IPNS:Fe(II):AmCOV, complex was then exposed to oxygen gas at high pressure; this brought, about reaction to give what appears to be a hydroxymethyl/ene-thiol, product. A mechanism for this reaction is proposed. These results offer, further insight into the delicate interplay of steric and electronic, effects in the IPNS active site and the mechanistic intricacies of this, remarkable enzyme.
About this Structure
1W3V is a Single protein structure of sequence from Emericella nidulans with FE2 and MDZ 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
Unexpected oxidation of a depsipeptide substrate analogue in crystalline isopenicillin N synthase., Daruzzaman A, Clifton IJ, Adlington RM, Baldwin JE, Rutledge PJ, Chembiochem. 2006 Feb;7(2):351-8. PMID:16444759
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