タイトル | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. |
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ジャーナル・号・ページ | J. Am. Chem. Soc., Vol. 141, Page 5121-5124, Year 2019 |
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掲載日 | 2018年11月30日 (構造データの登録日) |
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著者 | Stunkard, L.M. / Dixon, A.D. / Huth, T.J. / Lohman, J.R. |
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リンク | J. Am. Chem. Soc. / PubMed:30869886 |
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手法 | X線回折 |
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解像度 | 1.7 - 1.798 Å |
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構造データ | PDB-6n92: Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-CoA 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6n93: Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6n94: Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-6n95: Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA 手法: X-RAY DIFFRACTION / 解像度: 1.798 Å PDB-6n96: Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-oxa(dethia)-CoA 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6n97: Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-amino(dethia)-CoA 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å |
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化合物 | ChemComp-KFV: [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
ChemComp-KGA: [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
ChemComp-KGJ: [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
ChemComp-LCV: (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
ChemComp-SO5: (2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
ChemComp-YZS: (2S)-sulfonatepropionyl-amino(dethia)-CoA
ChemComp-KGP: (2R)-sulfonatepropionyl-amino(dethia)-CoA
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由来 | - escherichia coli (strain k12) (大腸菌)
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キーワード | LYASE / crotonase / beta-keto / isostere |
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