1unb
From Proteopedia
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| - | [[Image:1unb.gif|left|200px]] | + | [[Image:1unb.gif|left|200px]] |
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| - | '''DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH 2-OXOGLUTARATE AND AMPICILLIN''' | + | {{Structure |
| + | |PDB= 1unb |SIZE=350|CAPTION= <scene name='initialview01'>1unb</scene>, resolution 1.5Å | ||
| + | |SITE= <scene name='pdbsite=AC1:Pn1+Binding+Site+For+Chain+A'>AC1</scene> | ||
| + | |LIGAND= <scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene> and <scene name='pdbligand=AKG:2-OXYGLUTARIC ACID'>AKG</scene> | ||
| + | |ACTIVITY= [http://en.wikipedia.org/wiki/Deacetoxycephalosporin-C_synthase Deacetoxycephalosporin-C synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.20.1 1.14.20.1] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH 2-OXOGLUTARATE AND AMPICILLIN''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1UNB is a [ | + | 1UNB is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Streptomyces_clavuligerus Streptomyces clavuligerus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UNB OCA]. |
==Reference== | ==Reference== | ||
| - | The structural basis of cephalosporin formation in a mononuclear ferrous enzyme., Valegard K, Terwisscha van Scheltinga AC, Dubus A, Ranghino G, Oster LM, Hajdu J, Andersson I, Nat Struct Mol Biol. 2004 Jan;11(1):95-101. Epub 2003 Dec 29. PMID:[http:// | + | The structural basis of cephalosporin formation in a mononuclear ferrous enzyme., Valegard K, Terwisscha van Scheltinga AC, Dubus A, Ranghino G, Oster LM, Hajdu J, Andersson I, Nat Struct Mol Biol. 2004 Jan;11(1):95-101. Epub 2003 Dec 29. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14718929 14718929] |
[[Category: Deacetoxycephalosporin-C synthase]] | [[Category: Deacetoxycephalosporin-C synthase]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: oxidoreductase]] | [[Category: oxidoreductase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:34:15 2008'' |
Revision as of 12:34, 20 March 2008
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| , resolution 1.5Å | |||||||
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| Sites: | |||||||
| Ligands: | and | ||||||
| Activity: | Deacetoxycephalosporin-C synthase, with EC number 1.14.20.1 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH 2-OXOGLUTARATE AND AMPICILLIN
Overview
Deacetoxycephalosporin-C synthase (DAOCS) is a mononuclear ferrous enzyme that transforms penicillins into cephalosporins by inserting a carbon atom into the penicillin nucleus. In the first half-reaction, dioxygen and 2-oxoglutarate produce a reactive iron-oxygen species, succinate and CO2. The oxidizing iron species subsequently reacts with penicillin to give cephalosporin and water. Here we describe high-resolution structures for ferrous DAOCS in complex with penicillins, the cephalosporin product, the cosubstrate and the coproduct. Steady-state kinetic data, quantum-chemical calculations and the new structures indicate a reaction sequence in which a 'booby-trapped' oxidizing species is formed. This species is stabilized by the negative charge of succinate on the iron. The binding sites of succinate and penicillin overlap, and when penicillin replaces succinate, it removes the stabilizing charge, eliciting oxidative attack on itself. Requisite groups of penicillin are within 1 A of the expected position of a ferryl oxygen in the enzyme-penicillin complex.
About this Structure
1UNB is a Single protein structure of sequence from Streptomyces clavuligerus. Full crystallographic information is available from OCA.
Reference
The structural basis of cephalosporin formation in a mononuclear ferrous enzyme., Valegard K, Terwisscha van Scheltinga AC, Dubus A, Ranghino G, Oster LM, Hajdu J, Andersson I, Nat Struct Mol Biol. 2004 Jan;11(1):95-101. Epub 2003 Dec 29. PMID:14718929
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