Molecular conformation of a D,L stereoisomeric analogue of valinomycin, cyclo[-(L-Val-L-Hyi-L-Val-D-Hyi)2-(D-Val-L-Hyi-L-Val-D-Hyi)-]
Molecular conformation of a D,L stereoisomeric analogue of valinomycin, cyclo[-(L-Val-L-Hyi-L-Val-D-Hyi)2-(D-Val-L-Hyi-L-Val-D-Hyi)-]
复制标题
缬氨霉素 D,L 立体异构类似物的分子构象，环[-(L-Val-L-Hyi-L-Val-D-Hyi)2-(D-Val-L-Hyi-L-Val-D-Hyi)
DOI：
10.1002/bip.360310407
复制
发表时间：
1991
期刊：
影响因子：
2.9
通讯作者：
Ivanov,VT
中科院分区：
文献类型：
--
作者：
Langs,DA;Grochulski,P;Duax,WL;Pletnev,VZ;Ivanov,VT
已确定缬氨霉素的合成类似物环[-（L-瓦尔-L-Hyi-L-瓦尔-D-Hyi）2-（D-瓦尔-L-Hyi-L-瓦尔-D-Hyi）-]（[L-Val 1，L-Val 5]meso-缬氨霉素）C60 H102 N6 O 18的晶体结构。晶体属正交晶系，空间群P212121，晶胞参数a = 16.41（1），B= 18.76（1），c= 25.86（1），Z = 4。在各向异性热运动近似下，对非氢原子的原子坐标进行了修正。H原子的坐标参数被纳入几何预期位置的结构因子计算。细化后的标准R因子和加权R因子的值分别为0.074和0.083。该分子的晶体结构为不对称构象，酰胺氮和羰基氧之间存在4 → 1型和1 → 6型分子内氢键。缬氨霉素与钾的结合强度是D，L立体异构体类似物的100倍以上，这是由于潜在相互作用的羰基的不同空间取向。
The crystal structure of a synthetic analogue of valinomycin, cyclo[‐(L‐Val‐L‐Hyi‐L‐Val‐D‐Hyi)2‐(D‐Val‐L‐Hyi‐L‐Val‐D‐Hyi)‐] ([L‐Val1,L‐Val5]meso‐valinomycin), C60H102N6O18, has been determined. Crystals grown from petroleum ether are orthorhombic, space group P212121, with cell parametersa= 16.41(1),b= 18.76(1),c= 25.86(1) Å, andZ= 4. The atomic coordinates for nonhydrogen atoms, except those of terminal carbons on one side chain, were refined in the anisotropic thermal motion approximation. The coordinate parameters of the H atoms were incorporated into the structure factor calculations at geometrically expected positions. Values of the standard and weightedRfactors after refinement are 0.074 and 0.083, respectively. The crystal structure of the molecule is asymmetric and adopts a conformation with four 4 → 1 type and one 6 → 1 type intramolecular hydrogen bonds between amide nitrogens and carbonyl oxygens. Valinomycin binds potassium more than 100 times strongly than theD,LStereoisomeric analogue, as a result of a different spatial orientation of potentially interacting carbonyl groups.