PDB Chemical Component Dictionary

PDB Chemical Component Dictionary是蛋白质数据银行(PDB)的外部参考文件，描述PDB条目中所有残基和小分子成分。该字典包含标准及修饰的氨基酸/核苷酸、小分子配体和溶剂分子的详细化学描述，包括立体化学分配、化学描述符(SMILES & InChI)、系统化学名称和理想化坐标。字典按PDB分配给每个化学成分的3字符字母数字代码组织，每周随PDB更新而更新。The PDB Chemical Component Dictionary is an external reference resource of the Protein Data Bank (PDB), which details all residues and small molecule components in PDB entries. It contains detailed chemical descriptions of standard and modified amino acids, nucleotides, small molecule ligands and solvent molecules, encompassing stereochemical assignments, chemical descriptors (SMILES & InChI), systematic chemical names and idealized coordinates. The dictionary is organized by the 3-character alphanumeric code assigned by PDB to each chemical component, and is updated weekly alongside PDB releases.