1HHU

Balhimycin in complex with D-Ala-D-Ala

1HHU の概要

• エントリーDOI: 10.2210/pdb1hhu/pdb
• 関連するPDBエントリー: 1GO6 1HHY 1HHZ
• 関連するBIRD辞書のPRD_ID: PRD_000484
• 分子名称: BALHIMYCIN, beta-D-glucopyranose, (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, ... (7 entities in total)
• 機能のキーワード: antibiotic, glycopeptide, cell wall peptides
• 由来する生物種: AMYCOLATOPSIS SP.
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 7939.04

構造登録者

Lehmann, C.,Bunkoczi, G.,Sheldrick, G.M.,Vertessy, L. (登録日: 2000-12-28, 公開日: 2003-09-05, 最終更新日: 2023-11-15)

主引用文献

Lehmann, C.,Bunkoczi, G.,Vertesy, L.,Sheldrick, G.M.
Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors
J.Mol.Biol., 318:723-, 2002

PubMed Abstract: The vancomycin-related antibiotics balhimycin and degluco-balhimycin have been crystallized in complexes with di-, tri- and pentapeptides that emulate bacterial cell-wall precursors, and four structures determined at atomic resolution (<1 A). In addition to the features expected from previous structural and spectroscopic studies, two new motifs were observed that may prove important in the design of antibiotics modified to overcome bacterial resistance. A changed binding mode was found in two dipeptide complexes, and a new type of face-to-face oligomerization (in addition to the well-established back-to-back dimerization) was seen when the model peptide reaches a critical fraction of the size of the cell-wall precursor pentapeptide. The extensive interactions involving both antibiotic and peptide molecules in this interface should appreciably enhance the kinetic and thermodynamic stability of the complexes. In the pentapeptide complex, the relative positions of the peptides are close to those required for d-Ala elimination, so this structure may provide a realistic model for the prevention of the enzyme-catalyzed cell-wall crosslinking by antibiotic binding.

PubMed: 12054818
DOI: 10.1016/S0022-2836(02)00146-8

実験手法

X-RAY DIFFRACTION (0.89 Å)