4KQQ

CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid

4KQQ の概要

• エントリーDOI: 10.2210/pdb4kqq/pdb
• 関連するPDBエントリー: 4KQO 4KQR
• 分子名称: Penicillin-binding protein 3, (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, ... (6 entities in total)
• 機能のキーワード: penicillin-binding proteins, piperacillin, (5s)-penicilloic acid, cell wall biosynthesis, transpeptidase, out periplasmic membrane, biosynthetic protein, biosynthetic protein-antibiotic complex, biosynthetic protein/antibiotic
• 由来する生物種: Pseudomonas aeruginosa
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 124012.23

構造登録者

Nettleship, J.E.,Stuart, D.I.,Owens, R.J.,Ren, J. (登録日: 2013-05-15, 公開日: 2013-11-06, 最終更新日: 2023-09-20)

主引用文献

van Berkel, S.S.,Nettleship, J.E.,Leung, I.K.,Brem, J.,Choi, H.,Stuart, D.I.,Claridge, T.D.,McDonough, M.A.,Owens, R.J.,Ren, J.,Schofield, C.J.
Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8:2112-2116, 2013

PubMed Abstract: β-Lactam antibiotics react with penicillin binding proteins (PBPs) to form relatively stable acyl-enzyme complexes. We describe structures derived from the reaction of piperacillin with PBP3 (Pseudomonas aeruginosa) including not only the anticipated acyl-enzyme complex but also an unprecedented complex with (5S)-penicilloic acid, which was formed by C-5 epimerization of the nascent (5R)-penicilloic acid product. Formation of the complex was confirmed by solution studies, including NMR. Together, these results will be useful in the design of new PBP inhibitors and raise the possibility that noncovalent PBP inhibition by penicilloic acids may be of clinical relevance.

PubMed: 23899657
DOI: 10.1021/cb400200h

実験手法

X-RAY DIFFRACTION (2.1 Å)