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	Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
ジャーナル・号・ページ	Nat Commun, Vol. 16, Issue 1, Page 3969, Year 2025
掲載日	2025年4月28日
著者	Jing Yu / Yuhui Lan / Chen Zhu / Zhendong Chen / Junyi Pan / Yanfeng Shi / Lan Yang / Tianyu Hu / Yan Gao / Yao Zhao / Xiaobo Chen / Xiuna Yang / Shuihua Lu / Luke W Guddat / Haitao Yang / Zihe Rao / Jun Li /
PubMed 要旨	Heterodimeric ATP-binding cassette (ABC) transporters containing one catalytically impaired degenerate nucleotide-binding site (NBS) have a mechanism different from those with two active NBSs. ...Heterodimeric ATP-binding cassette (ABC) transporters containing one catalytically impaired degenerate nucleotide-binding site (NBS) have a mechanism different from those with two active NBSs. However, the structural basis of their transport mechanism remains to be explained. Here, we determine mycobacterial MsRv1273c/72c to be an isoniazid efflux pump and determine several structures by cryo-electron microscopy showing specific asymmetrical features including an N-terminal extending loop and a periplasmic helical hairpin only found in MsRv1272c. In addition, we capture three distinct asymmetric states where the nucleotide-binding domains are partially dimerized at the degenerate site. Using these intermediate states, the D-WalkerB loop and X-signature loop of MsRv1272c modulate and couple the function of both NBSs through conformational changes. Thus, these data provide insights into the mechanism of this heterodimeric ABC transporter containing a degenerate NBS. The structures also provide a framework for the rational design of anti-tuberculosis drugs targeting this drug-efflux pump.
リンク	Nat Commun / PubMed:40295516 / PubMed Central
手法	EM (単粒子)
解像度	2.7 - 4.01 Å
構造データ	37450 8wcw EMDB-37450, PDB-8wcw: Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the IFapo state 手法: EM (単粒子) / 解像度: 3.11 Å 37451 8wcx EMDB-37451, PDB-8wcx: Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the AMPPNP-bound IFasym-1 state 手法: EM (単粒子) / 解像度: 3.09 Å 38626 8xsr EMDB-38626, PDB-8xsr: Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ATP\|ADP-bound IFasym-2 state 手法: EM (単粒子) / 解像度: 2.93 Å 38627 8xss EMDB-38627, PDB-8xss: Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 state (ATP 37 degrees C treated 手法: EM (単粒子) / 解像度: 3.33 Å 38628 8xst EMDB-38628, PDB-8xst: Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 state (ADP 4 degrees C treated) 手法: EM (単粒子) / 解像度: 3.1 Å 60789 9iqe EMDB-60789, PDB-9iqe: Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 (peptidisc) state (ATP 37degrees C treated) 手法: EM (単粒子) / 解像度: 3.78 Å 60790 9iqf EMDB-60790, PDB-9iqf: Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 (peptidisc) state (ADP 4degrees C treated) 手法: EM (単粒子) / 解像度: 4.01 Å 60791 9iqg EMDB-60791, PDB-9iqg: Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ATP\|ADP+Vi-bound Occ (Vi) state 手法: EM (単粒子) / 解像度: 2.7 Å 62611 9kwi EMDB-62611, PDB-9kwi: Cryo-EM structure of MsRv1273c/72c(E553Q) mutant from Mycobacterium smegmatis in the ATP-bound Occ state 手法: EM (単粒子) / 解像度: 3.19 Å
化合物	ChemComp-ANP: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, エネルギー貯蔵分子類似体YM ChemComp-MG: Unknown entry ChemComp-ATP: ADENOSINE-5'-TRIPHOSPHATE / ATP, エネルギー貯蔵分子YM ChemComp-ADP: ADENOSINE-5'-DIPHOSPHATE / ADP, エネルギー貯蔵分子YM ChemComp-VO4*: VANADATE ION
由来	mycolicibacterium smegmatis mc2 155 (バクテリア)
キーワード	TRANSPORT PROTEIN / ABC transporter / exporter