人白细胞介素-6的三级结构模型以及与X射线和核磁共振结构比较后的评估

Tertiary structural models of human interleukin-6 and evaluation by comparison with X-ray and NMR structures.

作者信息

Sumikawa H, Suzuki E

机构信息

Central Research Laboratories, Ajinomoto Co., Inc., Kawasaki, Japan.

出版信息

Chem Pharm Bull (Tokyo). 1998 Jan;46(1):136-8. doi: 10.1248/cpb.46.136.

DOI:10.1248/cpb.46.136

PMID:9468646

Abstract

Tertiary structure models of interleukin-6 were constructed using a routine prediction method based on the X-ray crystal structures of granulocyte colony-stimulating factor (GCSF) and leukemia inhibitory factor (LIF). Those models were evaluated using a sequence-structure compatibility (3D-1D) method program Compass and a limited amount of NMR distance information when it was concluded that the model based on GCSF (IBGC) was preferable to that from LIF (Sumikawa et al., FEBS Lett., 404, 234 (1997)). We evaluated the quality of this model (IBGC) by comparing with X-ray (Somers et al., EMBO., 16, 989 (1997)) and NMR (Xu et al., J. Mol. Biol., 268, 468 (1997)) structures. Consequently, normal mode calculations were carried out for this model, giving conformation fluctuations similar to the C alpha deviation pattern between X-ray and NMR structures.

摘要

利用基于粒细胞集落刺激因子（GCSF）和白血病抑制因子（LIF）的X射线晶体结构的常规预测方法构建了白细胞介素-6的三级结构模型。当得出基于GCSF的模型（IBGC）优于基于LIF的模型（Sumikawa等人，《欧洲生物化学学会联合会快报》，404, 234 (1997)）时，使用序列-结构兼容性（3D-1D）方法程序Compass和有限量的核磁共振距离信息对这些模型进行了评估。我们通过与X射线（Somers等人，《欧洲分子生物学组织杂志》，16, 989 (1997)）和核磁共振（Xu等人，《分子生物学杂志》，268, 468 (1997)）结构进行比较，评估了该模型（IBGC）的质量。因此，对该模型进行了正常模式计算，得到的构象波动类似于X射线和核磁共振结构之间的Cα偏差模式。