Molecular dynamics simulation data of rat phenylalanine hydroxylase (rPAH) monomer

Raw data of molecular dynamics simulations of rat phenylalanine hydroxylase (T22-K450) monomer. Missing residues were rebuilt using Modeller. Metal site was parameterized using MCPB.py in AmberTools. Simulation starts from the crystal pose (PDB: 5DEN).大鼠苯丙氨酸羟化酶（T22-K450区段）单体的分子动力学模拟原始数据。缺失残基通过Modeller软件进行重建。金属结合位点采用AmberTools中的MCPB.py工具完成参数化。模拟以PDB编号5DEN的晶体构象为起始结构。