Jeffrey G A, Maluszynska H
Department of Crystallography, University of Pittsburgh, PA 15260.
Acta Crystallogr B. 1990 Aug 1;46 ( Pt 4):546-9. doi: 10.1107/s0108768190001562.
An examination of the stereochemistry of the water molecules in the hydrates of amino acids and peptides, carbohydrates, purines and pyrimidines, and nucleosides and nucleotides, reveals a variety of hydrogen-bonded configurations within a radius of 3.0 A from the water oxygen atom. Water molecules which accept one hydrogen bond are more common than those that accept two, by a factor of 1.4. There are nine examples where the water is not a hydrogen-bond acceptor, but only one where it does not donate two hydrogen bonds. Of the 621 OWH...A bonds examined, 15% were three centered and 2% were four centered or three-center bifurcated. The amino-acid and peptide hydrates displayed the greatest variety with 15 different hydrogen-bond configurations. The coordination of the donor and acceptor atoms within 3.0 A of the water oxygen atom ranged from two to seven.
对氨基酸和肽、碳水化合物、嘌呤和嘧啶以及核苷和核苷酸水合物中水分子的立体化学进行研究后发现，在距水氧原子3.0埃的半径范围内存在多种氢键构型。接受一个氢键的水分子比接受两个氢键的水分子更常见，比例为1.4倍。有九个例子中，水不是氢键受体，但只有一个例子中，水不提供两个氢键。在所研究的621个OWH...A键中，15%是三中心的，2%是四中心或三中心分叉的。氨基酸和肽水合物呈现出最多样化的15种不同氢键构型。在距水氧原子3.0埃范围内，供体和受体原子的配位范围为2至7。
