2jb4: Difference between revisions
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[[Image:2jb4.gif|left|200px]] | [[Image:2jb4.gif|left|200px]] | ||
'''ISOPENICILLIN N SYNTHASE WITH A 2-THIABICYCLOHEPTAN-6-ONE PRODUCT ANALOGUE''' | {{Structure | ||
|PDB= 2jb4 |SIZE=350|CAPTION= <scene name='initialview01'>2jb4</scene>, resolution 1.30Å | |||
|SITE= <scene name='pdbsite=AC1:So4+Binding+Site+For+Chain+A'>AC1</scene> | |||
|LIGAND= <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=A14:(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC+ACID'>A14</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene> | |||
|ACTIVITY= [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] | |||
|GENE= | |||
}} | |||
'''ISOPENICILLIN N SYNTHASE WITH A 2-THIABICYCLOHEPTAN-6-ONE PRODUCT ANALOGUE''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2JB4 is a [ | 2JB4 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Emericella_nidulans Emericella nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JB4 OCA]. | ||
==Reference== | ==Reference== | ||
A cyclobutanone analogue mimics penicillin in binding to isopenicillin N synthase., Stewart AC, Clifton IJ, Adlington RM, Baldwin JE, Rutledge PJ, Chembiochem. 2007 Nov 5;8(16):2003-7. PMID:[http:// | A cyclobutanone analogue mimics penicillin in binding to isopenicillin N synthase., Stewart AC, Clifton IJ, Adlington RM, Baldwin JE, Rutledge PJ, Chembiochem. 2007 Nov 5;8(16):2003-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17907118 17907118] | ||
[[Category: Emericella nidulans]] | [[Category: Emericella nidulans]] | ||
[[Category: Isopenicillin-N synthase]] | [[Category: Isopenicillin-N synthase]] | ||
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[[Category: vitamin c]] | [[Category: vitamin c]] | ||
''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 17:39:37 2008'' | ||
Revision as of 18:39, 20 March 2008
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| , resolution 1.30Å | |||||||
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| Sites: | |||||||
| Ligands: | , , and | ||||||
| Activity: | Isopenicillin-N synthase, with EC number 1.21.3.1 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
ISOPENICILLIN N SYNTHASE WITH A 2-THIABICYCLOHEPTAN-6-ONE PRODUCT ANALOGUE
OverviewOverview
A carbocyclic analogue of the beta-lactam antibiotic isopenicillin N (IPN) has been synthesised and cocrystallised with isopenicillin N synthase (IPNS), the central enzyme in the biosynthesis of penicillin antibiotics. The crystal structure of the IPNS-cyclobutanone complex reveals an active site environment similar to that seen in the enzyme-product complex generated by turnover of the natural substrate within the crystalline protein. The IPNS-cyclobutanone structure demonstrates that the product analogue is tethered to the protein by hydrogen bonding and salt bridge interactions with its carboxylate groups, as seen previously for the natural substrate and product. Furthermore, the successful cocrystallisation of this analogue with IPNS provides firm structural evidence for the utility of such cyclobutanone derivatives as hydrolytically stable analogues of bicyclic beta-lactams.
About this StructureAbout this Structure
2JB4 is a Single protein structure of sequence from Emericella nidulans. Full crystallographic information is available from OCA.
ReferenceReference
A cyclobutanone analogue mimics penicillin in binding to isopenicillin N synthase., Stewart AC, Clifton IJ, Adlington RM, Baldwin JE, Rutledge PJ, Chembiochem. 2007 Nov 5;8(16):2003-7. PMID:17907118
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