EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
ジャーナル・号・ページ	Nat Commun, Vol. 13, Issue 1, Page 592, Year 2022
掲載日	2022年2月1日
著者	Jialiang Wang / Dandan Li / Lu Chen / Wei Cao / Liangliang Kong / Wei Zhang / Tristan Croll / Zixin Deng / Jingdan Liang / Zhijun Wang /
PubMed 要旨	Nonribosomal peptide synthetases (NRPSs) are modular assembly-line megaenzymes that synthesize diverse metabolites with wide-ranging biological activities. The structural dynamics of synthetic ...Nonribosomal peptide synthetases (NRPSs) are modular assembly-line megaenzymes that synthesize diverse metabolites with wide-ranging biological activities. The structural dynamics of synthetic elongation has remained unclear. Here, we present cryo-EM structures of PchE, an NRPS elongation module, in distinct conformations. The domain organization reveals a unique "H"-shaped head-to-tail dimeric architecture. The capture of both aryl and peptidyl carrier protein-tethered substrates and intermediates inside the heterocyclization domain and L-cysteinyl adenylate in the adenylation domain illustrates the catalytic and recognition residues. The multilevel structural transitions guided by the adenylation C-terminal subdomain in combination with the inserted epimerase and the conformational changes of the heterocyclization tunnel are controlled by two residues. Moreover, we visualized the direct structural dynamics of the full catalytic cycle from thiolation to epimerization. This study establishes the catalytic trajectory of PchE and sheds light on the rational re-engineering of domain-inserted dimeric NRPSs for the production of novel pharmaceutical agents.
リンク	Nat Commun / PubMed:35105906 / PubMed Central
手法	EM (単粒子)
解像度	2.97 - 3.9 Å
構造データ	31198 7emy EMDB-31198, PDB-7emy: Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module 手法: EM (単粒子) / 解像度: 2.97 Å 31199 7en1 EMDB-31199, PDB-7en1: Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-after-condensation 手法: EM (単粒子) / 解像度: 3.47 Å 31200 7en2 EMDB-31200, PDB-7en2: Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-after-condensation, condensation 手法: EM (単粒子) / 解像度: 3.78 Å EMDB-31201: Pyochelin synthetase, ArCPdonation 手法: EM (単粒子) / 解像度: 3.16 Å EMDB-31202: Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-aftercondensation 手法: EM (単粒子) / 解像度: 3.78 Å EMDB-31203: Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-condensation 手法: EM (単粒子) / 解像度: 3.9 Å
化合物	ChemComp-PNS: 4'-PHOSPHOPANTETHEINE / パンテテイン4′-りん酸 ChemComp-SAL: 2-HYDROXYBENZOIC ACID / サリチル酸 ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-AMP: ADENOSINE MONOPHOSPHATE / AMP / AMPYM ChemComp-CYS: CYSTEINE / システイン ChemComp-J9F*: (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid / (S)-(+)-ジヒドロエルギン酸
由来	pseudomonas aeruginosa pao1 (緑膿菌)
キーワード	LIGASE / nonribosomal peptide synthetase / BIOSYNTHETIC PROTEIN