A survey of atomic interactions in 21 proteins.
A survey of atomic interactions in 21 proteins.
复制标题
21 种蛋白质中原子相互作用的调查。
DOI：
10.1016/0022-2836(78)90228-0
复制
发表时间：
1978
影响因子：
5.6
通讯作者：
Richard S. Morgan
中科院分区：
文献类型：
--
作者：
Paul K. Warme;Richard S. Morgan
已知三级结构的21种代表性蛋白质中的所有长程原子相互作用已按原子类型分类，考虑15种不同类型的侧链原子和4种不同类型的骨架原子。观察到的原子相互作用的分布与随机相互作用的预期分布进行比较，以检测特定的相互作用趋势。九种类型的相互作用产生的观测值与预期值相差超过50%。1. (a)硫原子被吸引到其他硫原子上，并避开带负电荷的氧（O−）原子。(b)（O−）原子倾向于与NH3+、>NH、OH和极性CH 2基团相互作用。(c)羰基氧原子经常与中性和极性CH 2基团缔合。(d)羰基碳原子通常位于NH3+原子附近。各种原子类型根据其环境中最常见的原子类型的亲和力等级进行排名。
All of the long-range atomic interactions in 21 representative proteins of known tertiary structure have been categorized by atom types, considering 15 different types of side-chain atoms and four different types of backbone atoms. The observed distribution of atomic interactions is compared to the distribution expected for random interactions in order to detect specific interaction tendencies. Nine types of interactions yield observed values that differ by more than 50% from the expected values.1.(a) Sulfur atoms are attracted to other sulfur atoms and avoid negatively charged oxygen (O−) atoms.2.(b) (O−) atoms tend to interact with NH3+, >NH, OH and polar CH2groups.3.(c) Carbonyl oxygen atoms frequently associate with neutral and polar CH2groups.4.(d) Carbonyl carbon atoms are often found near NH3+atoms.The various atom types are ranked in terms of a scale of affinities based on the types of atoms most frequently found in their environment.