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AlphaFold2 Structural Predictions of the BRCA2(21–39)–PALB2(835–1186) Complex Including the p.Val1036Leu Variant

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Zenodo2025-07-05 更新2026-05-26 收录
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This dataset contains AlphaFold2-based structural predictions of the BRCA2(21–39)–PALB2(835–1186) complex, generated to evaluate the potential structural impact of the germline PALB2 c.3106G>C (p.Val1036Leu) variant identified in a patient with ovarian cancer. Structural modeling was conducted using the ColabFold implementation of AlphaFold2. The predictions suggest that the Val1036Leu substitution introduces a hydrogen bond between Ile1037 and Lys1047, which is absent in the wild-type structure. This finding may support a functional role for the variant at the BRCA2–PALB2 interface, relevant to DNA damage repair via homologous recombination. The dataset includes: Wild-type structure (structure_wildtype.pdb) Variant structure with p.Val1036Leu (structure_Val1036Leu.pdb) Jupyter notebook used to generate the predictions (modeling_notebook.ipynb) https://colab.research.google.com/github/sokrypton/ColabFold/blob/main/AlphaFold2.ipynb These files are supplementary to the case report titled: “Familial PALB2 Variant (c.3106G>C, p.Val1036Leu) in a Patient with Ovarian Cancer: A Case Supporting Potential Pathogenicity” submitted to BMJ Case Reports.

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Zenodo
创建时间:
2025-07-05
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