1qow
From Proteopedia
(New page: 200px<br /><applet load="1qow" size="450" color="white" frame="true" align="right" spinBox="true" caption="1qow, resolution 1.06Å" /> '''MERSACIDIN FROM BACI...) |
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| - | [[Image:1qow.jpg|left|200px]]<br /><applet load="1qow" size=" | + | [[Image:1qow.jpg|left|200px]]<br /><applet load="1qow" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1qow, resolution 1.06Å" /> | caption="1qow, resolution 1.06Å" /> | ||
'''MERSACIDIN FROM BACILLUS'''<br /> | '''MERSACIDIN FROM BACILLUS'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The crystal structure of mersacidin, a potential novel antibiotic against | + | The crystal structure of mersacidin, a potential novel antibiotic against methicillin- and vancomycin-resistant Staphylococcus aureus strains, has been determined by ab initio methods. Despite all crystals being merohedrally twinned, an accurate structural model with an R value of 13.4% has been obtained at atomic resolution. With six molecules in the asymmetric unit and no atom heavier than sulfur, the structure corresponds to a protein of 120 amino acids and is the largest approximately equal-atom unknown structure solved by direct methods. In the crystal, the molecule assumes a compact fold different from that found by NMR in solution. Comparison of the NCS-related molecules reveals regions of variable flexibility. The region highly homologous to the related antibiotic actagardine is very rigid and possibly defines an essential building block of this class of new antibacterial substances. |
==About this Structure== | ==About this Structure== | ||
| - | 1QOW is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_sp. Bacillus sp.] with MOH as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | + | 1QOW is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_sp. Bacillus sp.] with <scene name='pdbligand=MOH:'>MOH</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QOW OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Kaercher, J.]] | [[Category: Kaercher, J.]] | ||
| - | [[Category: Schneider, T | + | [[Category: Schneider, T R.]] |
| - | [[Category: Sheldrick, G | + | [[Category: Sheldrick, G M.]] |
[[Category: MOH]] | [[Category: MOH]] | ||
[[Category: ab initio structure solution]] | [[Category: ab initio structure solution]] | ||
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[[Category: thioether]] | [[Category: thioether]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:42:08 2008'' |
Revision as of 12:42, 21 February 2008
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MERSACIDIN FROM BACILLUS
Overview
The crystal structure of mersacidin, a potential novel antibiotic against methicillin- and vancomycin-resistant Staphylococcus aureus strains, has been determined by ab initio methods. Despite all crystals being merohedrally twinned, an accurate structural model with an R value of 13.4% has been obtained at atomic resolution. With six molecules in the asymmetric unit and no atom heavier than sulfur, the structure corresponds to a protein of 120 amino acids and is the largest approximately equal-atom unknown structure solved by direct methods. In the crystal, the molecule assumes a compact fold different from that found by NMR in solution. Comparison of the NCS-related molecules reveals regions of variable flexibility. The region highly homologous to the related antibiotic actagardine is very rigid and possibly defines an essential building block of this class of new antibacterial substances.
About this Structure
1QOW is a Single protein structure of sequence from Bacillus sp. with as ligand. Full crystallographic information is available from OCA.
Reference
Ab initio structure determination of the lantibiotic mersacidin., Schneider TR, Karcher J, Pohl E, Lubini P, Sheldrick GM, Acta Crystallogr D Biol Crystallogr. 2000 Jun;56(Pt 6):705-13. PMID:10818347
Page seeded by OCA on Thu Feb 21 14:42:08 2008
