8U78

Structure of a N-Me-D-Gln4,Lys10-teixobactin analogue

Summary for 8U78

Entry DOI	10.2210/pdb8u78/pdb
Related PRD ID	PRD_002532
Descriptor	N-Methyl-D-Gln4,Lys10-teixobactin, CHLORIDE ION, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... (4 entities in total)
Functional Keywords	antibiotic, teixobactin, teixobactin analogue
Biological source	Eleftheria terrae
Total number of polymer chains	8
Total formula weight	10758.83
Authors	Nowick, J.S.,Yang, H.,Kreutzer, A.G. (deposition date: 2023-09-14, release date: 2024-03-06, Last modification date: 2024-04-17)
Primary citation	Yang, H.,Kreutzer, A.G.,Nowick, J.S. Supramolecular Interactions of Teixobactin Analogues in the Crystal State. J.Org.Chem., 89:5104-5108, 2024 Cited by PubMed Abstract: This Note presents the X-ray crystallographic structure of the -methylated teixobactin analogue -Me-d-Gln,Lys-teixobactin (). Eight peptide molecules comprise the asymmetric unit, with each peptide molecule binding a chloride anion through hydrogen bonding with the amide NH group of residues 7, 8, 10, and 11. The peptide molecules form hydrogen-bonded antiparallel β-sheet dimers in the crystal lattice, with residues 1-3 comprising the dimerization interface. The dimers further assemble end-to-end in the crystal lattice. PubMed: 38506062 DOI: 10.1021/acs.joc.3c02617 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation