Occurrence of bifurcated three‐center hydrogen bonds in protpins

FEBS Letters

Preißner, Robert¹  Egner, Ursula²  Saenger, Wolfram¹ 

[1] Institut für Kristallographie, Freie Universität Berlin, Takustr. 6, D-1000 Berlin 33, Germany;Schering AG, Müllerstr. 178, D-1000 Berlin 65, Germany

关键词: Protein structure;    Bifurcated hydrogen bond;    Three-center-hydrogen bond;    Statistical analysis;   

DOI  :  10.1016/0014-5793(91)81032-4

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

Analysis of 13 high-resolution protein X-ray crystal structures shows that 1204 (24%) of all the 4974 hydrogen bonds are of the bifurcated three-center type with the donor X-H opposing two acceptors A1, A2. They occur systematically in α-helices where 90% of the hydrogen bonds are of this type; the major component is (n+4)N-H…O=C(n) as expected for a 3.6₁₃ α-helix, and the minor component is (n+4)N-H…O=C(n+1), as observed in 3₁₀ helices; distortions at the C-temini of α-helices are stabilized by three-center bonds, In β-sheets 40% of the hydrogen bonds are three-centered. The frequent occurrence of three-center hydrogen bonds suggests that they should not be neglected in protein structural studies.

【 授权许可】

Unknown