Dundas Joe, Ouyang Zheng, Tseng Jeffery, Binkowski Andrew, Turpaz Yaron, Liang Jie
Program in Bioinformatics, Department of Bioengineering, University of Illinois at Chicago, Chicago, IL 60612, USA.
Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W116-8. doi: 10.1093/nar/gkl282.
Cavities on a proteins surface as well as specific amino acid positioning within it create the physicochemical properties needed for a protein to perform its function. CASTp (http://cast.engr.uic.edu) is an online tool that locates and measures pockets and voids on 3D protein structures. This new version of CASTp includes annotated functional information of specific residues on the protein structure. The annotations are derived from the Protein Data Bank (PDB), Swiss-Prot, as well as Online Mendelian Inheritance in Man (OMIM), the latter contains information on the variant single nucleotide polymorphisms (SNPs) that are known to cause disease. These annotated residues are mapped to surface pockets, interior voids or other regions of the PDB structures. We use a semi-global pair-wise sequence alignment method to obtain sequence mapping between entries in Swiss-Prot, OMIM and entries in PDB. The updated CASTp web server can be used to study surface features, functional regions and specific roles of key residues of proteins.
蛋白质表面的空洞以及其中特定氨基酸的定位创造了蛋白质执行其功能所需的物理化学性质。CASTp(http://cast.engr.uic.edu)是一种在线工具,可定位并测量三维蛋白质结构上的口袋和空隙。CASTp的这个新版本包含了蛋白质结构上特定残基的注释功能信息。这些注释源自蛋白质数据库(PDB)、瑞士蛋白质数据库(Swiss-Prot)以及《人类孟德尔遗传在线》(OMIM),后者包含已知会导致疾病的单核苷酸多态性(SNP)变体的信息。这些注释残基被映射到PDB结构的表面口袋、内部空隙或其他区域。我们使用一种半全局成对序列比对方法来获得瑞士蛋白质数据库、OMIM中的条目与PDB中的条目之间的序列映射。更新后的CASTp网络服务器可用于研究蛋白质的表面特征、功能区域和关键残基的特定作用。