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

Published: 7 June 2022| Version 1 | DOI: 10.17632/b49g97k46t.1
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Description

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).

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Computer Modeling, Polymerase, Molecular Dynamics, Protein Structure

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