Crystal structure of a complex of the peptidoglycan glycosyltransferase domain from Aquifex aeolicus and neryl moenomycin A

Crystal structure of a complex of the peptidoglycan glycosyltransferase domain from Aquifex aeolicus and neryl moenomycin A Descriptor: (2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid, Penicillin-insensitive transglycosylase Authors: Yuan, Y, Sliz, P, Walker, S. Deposit date: 2008-05-11 Release date: 2008-07-22 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Structural analysis of the contacts anchoring moenomycin to peptidoglycan glycosyltransferases and implications for antibiotic design. Acs Chem.Biol., 3, 2008

本数据集为水生栖热菌（Aquifex aeolicus）肽聚糖糖基转移酶结构域与香叶基莫恩霉素A（neryl moenomycin A）复合物的晶体结构。复合物化学结构描述：(2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(乙酰氨基)-5-{[(2S,3R,4R,5S,6R)-3-(乙酰氨基)-5-{[(2R,3R,4S,5R,6S)-6-氨基甲酰基-3,4,5-三羟基四氢-2H-吡喃-2-基]氧基}-4-羟基-6-甲基四氢-2H-吡喃-2-基]氧基}-4-羟基-6-({[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基]氧基}甲基)四氢-2H-吡喃-2-基]氧基}-6-氨基甲酰基-4-(氨基甲酰氧基)-5-羟基-5-甲基四氢-2H-吡喃-2-基]氧基}(羟基)磷酰]氧基}-2-{[(2Z)-3,7-二甲基辛-2,6-二烯-1-基]氧基}丙酸。该复合物所属酶为青霉素不敏感转糖基酶（Penicillin-insensitive transglycosylase）。作者：Yuan Y、Sliz P、Walker S。保藏日期：2008年5月11日；发布日期：2008年7月22日；最后修改日期：2023年8月30日。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.31埃（Å）。引用文献：《锚定莫恩霉素与肽聚糖糖基转移酶相互作用的结构分析及抗生素设计启示》，ACS化学生物学（ACS Chem. Biol.），第3卷，2008年。