ION-PAIRS IN PROTEINS
ION-PAIRS IN PROTEINS
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DOI：
10.1016/s0022-2836(83)80079-5
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发表时间：
1983-01-01
影响因子：
5.6
通讯作者：
THORNTON, JM
中科院分区：
文献类型：
--
作者：
BARLOW, DJ;THORNTON, JM
离子对的工作定义是基于对38种蛋白质中相同和相反电荷基团的距离分布的分析得出的。根据该标准定义的离子对（≤4. ANG。带电基团之间的）进行了分析方面：不同对类型的频率;残基分离和二级结构位置的残基参与;灵活性的侧链参与;他们的构象;他们的环境（溶剂的可及性和接近活性位点或配体结合区域）;和他们在相关蛋白质的转换。平均而言，蛋白质中1/3的带电残基参与离子对，其中76%与稳定三级（而不是二级）结构有关。只有17%的离子对被掩埋，并且相互作用的保守性通常很低，除非所涉及的残基具有更具体的功能。根据所得结果，讨论了离子对在球状蛋白中的作用。
A working definition for an ion-pair was derived based on analysis of the distance distributions for like- and oppositely charged groups in 38 proteins. Ion-pairs defined according to this criterion (.ltoreq. 4 .ANG. between charged groups) were analyzed in respect of: the frequencies of different pair types; the residue separations and secondary structural locations of the residues involved; the flexibility of the side-chains involved; their conformation; their environment (accessibility to solvent and proximity to active site or ligand binding regions); and their conversation in related proteins. On average, 1/3 of the charged residues in a protein are involved in ion-pairs and 76% of these are concerned with stabilizing the tertiary (rather than the secondary) structure. Only 17% of ion-pairs are buried, and conservation of the interactions is generally low unless the residues involved have more specific functions to perform. In light of the results obtained, the role of ion pairs in globular proteins is discussed.