Dataset for Structural features of DNA polymerases β and λ in complex with benzo[a]pyrene-adducted DNA cause a difference in lesion tolerance

The dataset is related to the article "Structural features of DNA polymerases β and λ in complex with benzo[a]pyrene-adducted DNA cause a difference in lesion tolerance" in DNA Repair journal.
MP4 files are MD movies of 100 ns MD trajectory for all complexes mentioned in the article.
All .py files are the UCSF Chimera 1.15 sessions. The file "Pol_l_Pol_b_bpc_dna_100ns.py" contains two superimposed DNA molecules from Pol λ and Pol β complexes with the cis-DG-BP-adducted DNA duplex. The file "Pol_l_Pol_b_bpt_dna_100ns.py" consists of two superimposed DNA molecules from Pol λ and Pol β complexes with the trans-DG-BP-adducted DNA duplex. The files "Pol_l_Pol_b_bpc-100ns.py" and "Pol_l_Pol_b_bpt-100ns.py" are an overlay of two complex structures (Pol λ and Pol β in complex with cis-DG-BP DNA and trans-DG-BP DNA, respectively).

本数据集关联发表于《DNA修复》（DNA Repair）期刊的论文《苯并[a]芘（benzo[a]pyrene）修饰DNA复合物中DNA聚合酶β与λ的结构特征导致损伤耐受差异》（Structural features of DNA polymerases β and λ in complex with benzo[a]pyrene-adducted DNA cause a difference in lesion tolerance）。所有MP4文件均为对应文章中提及的全部复合物的100纳秒分子动力学（MD）轨迹模拟视频。所有.py格式文件均为UCSF Chimera 1.15会话文件。文件"Pol_l_Pol_b_bpc_dna_100ns.py"包含来自聚合酶λ（Pol λ）与聚合酶β（Pol β）结合顺式DG-苯并[a]芘修饰DNA双链的两个叠加DNA分子。文件"Pol_l_Pol_b_bpt_dna_100ns.py"包含来自聚合酶λ与聚合酶β结合反式DG-苯并[a]芘修饰DNA双链的两个叠加DNA分子。文件"Pol_l_Pol_b_bpc-100ns.py"与"Pol_l_Pol_b_bpt-100ns.py"则为两种复合物结构的叠加结果，二者分别对应聚合酶λ结合顺式DG-苯并[a]芘修饰DNA的复合物，以及聚合酶β结合反式DG-苯并[a]芘修饰DNA的复合物。