H...H clashes in published carboxylic acid structures
نویسندگان
چکیده
منابع مشابه
Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis
Carboxylic acid reductase (CAR) catalyzes the ATP- and NADPH-dependent reduction of carboxylic acids to the corresponding aldehydes. The enzyme is related to the nonribosomal peptide synthetases, consisting of an adenylation domain fused via a peptidyl carrier protein (PCP) to a reductase termination domain. Crystal structures of the CAR adenylation-PCP didomain demonstrate that large-scale dom...
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Molecular modeling of proteins including homology modeling, structure determination, and knowledge-based protein design requires tools to evaluate and refine three-dimensional protein structures. Steric clash is one of the artifacts prevalent in low-resolution structures and homology models. Steric clashes arise due to the unnatural overlap of any two nonbonding atoms in a protein structure. Us...
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Carboxylic acids are central compounds in cellular metabolism, and in the carbon cycle in nature. Carbon dioxide is captured from the atmosphere and enters living cells through the formation of carboxylic groups, and it is released from living cells by the decarboxylation of carboxylic acids. The aerobic extraction of free energy from sugars in cellular respiration hinges on the ingeniously des...
متن کاملPolymorphism in Self-Assembled Structures of 9-Anthracene Carboxylic Acid on Ag(111)
Surface self-assembly process of 9-anthracene carboxylic acid (AnCA) on Ag(111) was investigated using STM. Depending on the molecular surface density, four spontaneously formed and one annealed AnCA ordered phases were observed, namely a straight belt phase, a zigzag double-belt phase, two simpler dimer phases, and a kagome phase. The two high-density belt phases possess large unit cells on th...
متن کامل3β-Hydroxyfriedelan-17β-carboxylic acid
The title compound, C(30)H(50)O(3), which was isolated from a marine endophytic fungus, is a new friedelan derivative. The mol-ecule contains five six-membered rings, which exhibit boat (ring A), distorted boat (ring B) and chair (rings C-E) conformations. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds, which link neighbouring mol-ecules into 12-membered rings.
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2015
ISSN: 2053-2733
DOI: 10.1107/s2053273315095224