Double Deletion Mutation Induced Active Site Remodelling Modulates Substrate Specificity in KPC-14 β-lactamase
收藏DataCite Commons2026-04-28 更新2026-05-05 收录
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https://www.scidb.cn/detail?dataSetId=c961ba7174c54fe3b24638ad924821b8
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资源简介：
The folders contain raw trajectories from KPC14 and KPC2 in xtc format. The starting structure of KPC2 was obtained from the protein data bank (PDB id 2OV5). KPC14 was generated from KPC2 using alphafold after deletion of the two residues. The simulations were run using the NVT ensemble. Each trajectory contain 600 frames. A combined model from the autoencoder from the 31st dimension has been included.
提供机构：
Science Data Bank
创建时间：
2026-04-14
