Hall L H, Bowers M L, Durfor C N
Department of Chemistry, Eastern Nazarene College, Quincy, Massachusetts 02170.
Biochemistry. 1987 Nov 17;26(23):7401-9. doi: 10.1021/bi00397a031.
Investigation of lumiflavin and several other isoalloxazine ring derivatives has been carried out by geometry-optimized molecular orbital calculations. The results have provided insight into the flexibility of the flavin cofactor in the reduced and oxidized states, the regions of the fused three-ring system that should play an important role in flavin electron transfers, and the structural and functional role of the xylene and heteroatomic portions of the flavin system. The significance of these results is reviewed in relation to the experimentally identified chemical and biochemical properties of the flavin nucleotide coenzymes.
通过几何优化的分子轨道计算，对黄素单核苷酸和其他几种异咯嗪环衍生物进行了研究。结果深入了解了黄素辅因子在还原态和氧化态下的灵活性、在黄素电子转移中应起重要作用的稠合三环系统区域，以及黄素系统中二甲苯和杂原子部分的结构和功能作用。结合实验确定的黄素核苷酸辅酶的化学和生化特性，对这些结果的意义进行了综述。
