蛋白质结构样板库的构建及其总体特征

按照分辨率较高、同一性较低的标准 ,从 PDB库中选取高质量的蛋白质空间结构数据 ,构建了精度高于 0 .2 5nm、序列同一性低于 2 5%的样板数据库 SL CTBASE,其中有效残基数近 1 9万 .建库过程中 ,对 PDB原始数据文件进行了详细检验 ,发现其中包含有错误及可疑数据 .本文还统计了 SLCTBASE中主链键长、CA-CA距离、二面角的分布情况

Constituting and Testing of a Sampling Database of Protein Spatial Structure

According to the criterion of high resolution and low sequence identity,we selected high quality data from PDB to constitute a sampling database of protein spatial structure,SLCTBASE,with resolution better than 0.25 nm and sequence identity smaller than 25%.There are about 190 thousand of effective residues in SLCTBASE.In the process of building the database,we take much effort to check the data in original PDB files.We did several tests including mainchain connectivity check and found some intrinsic faults of some PDB files.The overall statistical features are also described.