7lib

X-ray crystal structure of a cyclic peptide containing beta-2-microglobulin (63-69) and a gamma-methylornithine turn unit

spinqualitylabelsall models 7lib, resolution 1.10Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7lib is a 1 chain structure with sequence from Synthetic construct. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.1Å Ligands: MVA, ORN, PHI, Y1V Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Although beta-hairpins are widespread in proteins, there is still no universal tool to coax any small peptide to adopt a beta-hairpin conformation, regardless of sequence. Here, we report that delta-linked gamma( R )-methyl-ornithine ( delta MeOrn) provides an improved beta-turn template for inducing a beta-hairpin conformation in peptides. We have developed a synthesis of protected delta MeOrn as a building block suitable for use in Fmoc-based solid-phase peptide synthesis. The synthesis begins with l -leucine and affords gram quantities of the N alpha -Boc- N delta -Fmoc-gamma( R )-methyl-ornithine building block. X-ray crystallography confirms that the delta MeOrn turn unit adopts a folded structure in a macrocyclic beta-hairpin peptide. CD and NMR spectroscopic experiments allow comparison of the delta MeOrn turn template to the delta-linked ornithine ( delta Orn) turn template that our laboratory has previously introduced and also to the popular d -Pro-Gly turn template. Collectively, these studies demonstrate that the folding of the delta MeOrn turn template is substantially better than that of delta Orn and is comparable to d -Pro-Gly. An Improved Turn Structure for Inducing beta-Hairpin Formation in Peptides.,Nowick JS, Li X, Sabol AL, Wierzbicki M, Salveson PJ Angew Chem Int Ed Engl. 2021 Jul 13. doi: 10.1002/anie.202105559. PMID:34258835 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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