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	Structural basis for allosteric regulation of mycobacterial guanosine 5´-monophosphate reductase by ATP and GTP.
ジャーナル・号・ページ	Nat Commun, Year 2026
掲載日	2026年4月13日
著者	Michal Doležal / Zdeněk Knejzlík / Tomáš Kouba / Anatolij Filimoněnko / Hana Šváchová / Matteo Dedola / Martin Klíma / Iva Pichová /
PubMed 要旨	Guanosine 5'-monophosphate reductase (GMPR) is a crucial enzyme in the purine salvage pathway that catalyses the NADPH-dependent conversion of GMP to IMP, thereby contributing to purine nucleotide ...Guanosine 5'-monophosphate reductase (GMPR) is a crucial enzyme in the purine salvage pathway that catalyses the NADPH-dependent conversion of GMP to IMP, thereby contributing to purine nucleotide homeostasis. Mycobacterium smegmatis GMPR (MsmGMPR) contains a regulatory cystathionine β-synthase (CBS) domain, which mediates allosteric modulation by ATP and GTP. However, MsmGMPR exhibits an atypical tertiary structure that is incompatible with the acknowledged regulatory mechanisms of IMPDH/GMPR family enzymes. Here, we combine X-ray crystallography, cryogenic electron microscopy, and biochemical binding assays to elucidate the molecular basis of MsmGMPR regulation by ATP and GTP. We show that ATP stabilises a compressed conformation that inhibits the enzyme by restricting access to the active site and preventing NADPH binding. In contrast, GTP counteracts ATP binding, promoting an active conformation that enables catalysis. Our results provide insight into how MsmGMPR senses and responds to the purine nucleotide balance, revealing a distinct utilisation of the CBS domain compared with its typical role in IMPDH/GMPR enzymes.
リンク	Nat Commun / PubMed:41974687
手法	EM (単粒子) / X線回折
解像度	1.6 - 3.85 Å
構造データ	19583 8ry0 EMDB-19583, PDB-8ry0: CryoEM structure of M. smegmatis GMP reductase in complex with GMP at pH 6.6, extended conformation. 手法: EM (単粒子) / 解像度: 3.66 Å 19584 8ry1 EMDB-19584, PDB-8ry1: CryoEM structure of M. smegmatis GMP reductase in complex with GMP at pH 6.6, compressed conformation. 手法: EM (単粒子) / 解像度: 3.85 Å 19585 8ry3 EMDB-19585, PDB-8ry3: CryoEM structure of M. smegmatis GMP reductase in complex with GMP and GTP at pH 6.6, extended conformation I. 手法: EM (単粒子) / 解像度: 2.52 Å 19586 8ry4 EMDB-19586, PDB-8ry4: CryoEM structure of M. smegmatis GMP reductase in complex with GMP and GTP at pH 6.6, extended conformation II. 手法: EM (単粒子) / 解像度: 3.72 Å 19587 8ry5 EMDB-19587, PDB-8ry5: CryoEM structure of M. smegmatis GMP reductase in complex with GMP and ATP at pH 6.6, compressed conformation. 手法: EM (単粒子) / 解像度: 2.48 Å 19588 8ry6 EMDB-19588, PDB-8ry6: CryoEM structure of M. smegmatis GMP reductase apoform at pH 6.6, extended conformation I. 手法: EM (単粒子) / 解像度: 3.22 Å 19589 8ry7 EMDB-19589, PDB-8ry7: CryoEM structure of M. smegmatis GMP reductase apoform at pH 6.6, extended conformation II. 手法: EM (単粒子) / 解像度: 3.7 Å 19590 8ry8 EMDB-19590, PDB-8ry8: CryoEM structure of M. smegmatis GMP reductase apoform at pH 7.8, extended conformation I. 手法: EM (単粒子) / 解像度: 2.96 Å 19591 8ry9 EMDB-19591, PDB-8ry9: CryoEM structure of M. smegmatis GMP reductase apoform at pH 7.8, extended conformation II. 手法: EM (単粒子) / 解像度: 3.2 Å 19592 8rya EMDB-19592, PDB-8rya: CryoEM structure of M. smegmatis GMP reductase apoform at pH 7.8, tetramer. 手法: EM (単粒子) / 解像度: 2.82 Å 19593 8ryb EMDB-19593, PDB-8ryb: CryoEM structure of M. smegmatis GMP reductase in complex with GMP at pH 7.8, extended conformation. 手法: EM (単粒子) / 解像度: 2.84 Å PDB-9hfz: Crystal structure of M. smegmatis GMP reductase in complex with IMP. 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-9hg0: Crystal structure of M. smegmatis GMP reductase *with XMP intermidiate in complex with NADP+ and IMP. 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-9hg1: Crystal structure of M. smegmatis GMP reductase in complex with GMP and ATP. 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-9hg2: Crystal structure of M. smegmatis GMP reductase in complex with IMP and ATP. 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-9hg3: Crystal structure of M. smegmatis GMP reductase in complex with GMP and GTP. 手法: X-RAY DIFFRACTION / 解像度**: 2.3 Å
化合物	ChemComp-5GP: GUANOSINE-5'-MONOPHOSPHATE ChemComp-GTP: GUANOSINE-5'-TRIPHOSPHATE / GTP, エネルギー貯蔵分子YM ChemComp-ATP: ADENOSINE-5'-TRIPHOSPHATE / ATP, エネルギー貯蔵分子YM ChemComp-HOH: WATER ChemComp-IMP: INOSINIC ACID ChemComp-NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
由来	mycolicibacterium smegmatis (バクテリア)
キーワード	OXIDOREDUCTASE / GMP reductase / GuaB1 / CBS domain / Mycobacterium smegmatis