4g13

Crystal structure of samarosporin I at 100K

spinqualitylabelsall models 4g13, resolution 0.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4g13 is a 1 chain structure with sequence from Samarospora rostrup. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 0.8Å Ligands: ACE, AIB, DIV, HYP, PHL Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed The atomic resolution structures of samarosporin I have been determined at 100 and 293 K. This is the first crystal structure of a natural 15-residue peptaibol. The amino acid sequence in samarosporin I is identical to emerimicin IV and stilbellin I. Samarosporin is a peptide antibiotic produced by the ascomycetous fungus Samarospora rostrup and belongs to peptaibol subfamily 2. The structures at both temperatures are very similar to each other adopting mainly a 3(10) -helical and a minor fraction of alpha-helical conformation. The helices are significantly bent and packed in an antiparallel fashion in the centered monoclinic lattice leaving among them an approximately 10-A channel extending along the crystallographic twofold axis. Only two ordered water molecules per peptide molecule were located in the channel. Comparisons have been carried out with crystal structures of subfamily 2 16-residue peptaibols antiamoebin and cephaibols. The repercussion of the structural analysis of samarosporin on membrane function is discussed. Copyright (c) 2012 European Peptide Society and John Wiley & Sons, Ltd. The crystal structure of samarosporin I at atomic resolution.,Gessmann R, Axford D, Evans G, Bruckner H, Petratos K J Pept Sci. 2012 Nov;18(11):678-84. doi: 10.1002/psc.2454. Epub 2012 Sep 28. PMID:23019149 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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