MECHANISTIC IMPLICATION OF CRYSTAL STRUCTURES OF THE CYCLOPHILIN-DIPEPTIDE COMPLEXES

Zhao YD; Ke HM

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MECHANISTIC IMPLICATION OF CRYSTAL STRUCTURES OF THE CYCLOPHILIN-DIPEPTIDE COMPLEXES

机译：环卟啉-二肽配合物的晶体结构的力学意义

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The structures of cyclophilin A complexed with dipeptides of Ser-Pro, His-Pro, and Gly-Pro have been determined and refined at high resolution. Comparison of these structures revealed that the dipeptide complexes have the same molecular conformation and the same binding of the dipeptides. The side chains of the N-terminal amino acid of the above dipeptides do not strongly interact with cyclophilin, implying their minor contribution to the cis-tl ans isomerization and thus accounting for the broad catalytic specificity of the enzyme. The binding of the dipeptides is similar to that of the common substrate succinyl-Ala-Ala-Pro-Phe-p-nitroanilide in terms of the N-terminal hydrogen bonding and the hydrophobic interaction of the proline side chain. However, substantial differences between these structures are observed in (1) hydrogen bonding between the carboxyl terminus of the peptides and Arg55 and between Arg55 and Gln63, (2) the side chain conformation of Arg55, and (3) water binding at the active site. These differences imply either that dipeptides are not substrates but competitive inhibitors of peptidyl-prolyl cis-trans isomerases or that dipeptides are subject to different catalytic mechanisms from tetrapeptides.

机译：亲和素A的结构与Ser-Pro，His-Pro和Gly-Pro的二肽复合的结构已被确定和高分辨率。这些结构的比较表明，二肽复合物具有相同的分子构象和相同的二肽结合。上述二肽的N-末端氨基酸的侧链不与亲环蛋白强烈地相互作用，这暗示它们对顺式-反式异构体异构化的贡献很小，因此说明了该酶的广泛催化特异性。就N端氢键和脯氨酸侧链的疏水相互作用而言，二肽的结合与普通底物琥珀酰-Ala-Ala-Pro-Phe-对硝基苯胺的结合相似。但是，这些结构之间存在着很大的差异，其中包括：（1）肽和Arg55的羧基末端之间以及Arg55和Gln63之间的氢键，（2）Arg55的侧链构象，以及（3）活性位点上的水结合。这些差异表明，二肽不是底物，而是肽基-脯氨酰顺反异构酶的竞争性抑制剂，或者表明二肽的催化机理与四肽不同。

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《Biochemistry》 |1996年第23期|共7页
作者
Zhao YD; Ke HM;
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正文语种 eng
中图分类生物化学;
关键词
Cis-trans-isomerase; X-ray structure; Cyclosporine-a; Binding-protein; Crystallographic refinement; Molecular-dynamics; Resolution; Site; Spectroscopy; Calcineurin;

机译：顺反异构酶;X射线结构;环孢素-a;结合蛋白;晶体学细化;分子动力学;拆分;位点;光谱学;钙调神经磷酸酶;

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机译：环卟啉-二肽配合物的晶体结构的力学意义
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MECHANISTIC IMPLICATION OF CRYSTAL STRUCTURES OF THE CYCLOPHILIN-DIPEPTIDE COMPLEXES

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