3c1p

Crystal Structure of an alternating D-Alanyl, L-Homoalanyl PNA

spinqualitylabelsall models 3c1p, resolution 1.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3c1p is a 4 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 1Å Ligands: AGD, CUD, DLY, HGL, LHC, PRD_000110 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed The crystal structure of the PNA (peptide nucleic acid) oligomer H-Lys-HalG-AlaG-HalC-AlaG-HalC-AlaC-Lys-NH(2) (PNA1, amino acids with D-configuration are underlined, Ala = alanyl, Hal = homoalanyl) has been determined by ab initio direct methods and refined against 1.0 A data. The asymmetric unit consists of a tetrameric cage with almost ideal Watson-Crick C-G base pairing of all the guanine and cytosine side-chain substituents. Each PNA strand has a 90 degrees beta-turn every second residue, stabilized by three hydrogen bonds between the backbone amides. The first, second, fifth and sixth bases stack on one side of the monomer and pair with the corresponding complementary bases of a second monomer to form a dimer. The two remaining bases on each side of the resulting dimer form Watson-Crick pairs with the complementary bases of a second dimer, leading to a unique cage structure. The extra methylene groups in the homoalanyl residues enable stacking of the bases with an optimal distance between base-planes but also with an appreciable lateral displacement (slide). Continuous beta-turn fold of an alternating alanyl/homoalanyl peptide nucleic acid.,Cuesta-Seijo JA, Zhang J, Diederichsen U, Sheldrick GM Acta Crystallogr D Biol Crystallogr. 2012 Aug;68(Pt 8):1067-70. Epub 2012 Jul 17. PMID:22868773 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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