Models of the active site of dihydroorotase: Structure of diaquabis(L-dihydroorotato)zinc(II) reveals an unexpected coordination mode for the L-dihydroorotato ligands

被引:19
作者
Hambley, TW [1 ]
Christopherson, RI [1 ]
Zvargulis, ES [1 ]
机构
[1] UNIV SYDNEY,DEPT BIOCHEM,SYDNEY,NSW 2006,AUSTRALIA
关键词
D O I
10.1021/ic00130a024
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The crystal structure of diaquabis(L-dihydroorotato)zinc(II) reveals that the ureido nitrogen adjacent to the coordinated carboxylate does not coordinate to the zinc atom in contrast to the situation in zinc(II) complexes of orotate. Moderately strong intramolecular hydrogen bonds between two coordinated water molecules and noncoordinated carboxylate oxygen atoms stabilize the coordination geometry. The higher pK(a) of the ureido group of dihydroorotate and its extra flexibility probably account for it forming a unidentate rather than bidentate interaction with the zinc(II) atom.
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页码:6550 / &
页数:4
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