結(jié)構基序預測蛋白質(zhì)功能(參考版)
2025-05-17 22:10本頁面
【正文】 因此，我們 要確定他們的關鍵詞從而確定其在 Uniprot中的 entries。所以，在進行結(jié)合位點相似性與功能相似性的比對中我們采取了一個標準化的相似性測度使大小各異的結(jié)合位點能夠以相同的比例尺進行測量。 ? The weight w(xAa ,xBa ) for the aligned atom pairs xAa and xBa. ? d(xAa ,xBa ) is the distance between two atoms in a superimposed coordinate system. ? 閾值 dc設定為 。 節(jié)點： based on relations such as mon elementary motifs or mon sequences. For example, there are PDB entries of human cellular tumor antigen p53 with or without bound DNA(., PDB 1UOL [58] and 2AC0 [59]) which share the same elementary motif for zinc binding but have different Composite motifs depending on the presence or absence of the elementary motif for DNA binding. To evaluate the properties of works of meta motifs Materials and Methods 1. Data set We have used all the PDB entries as of December 29, 2021(70,231 entries)， which contained at least one ligand binding site. A ligand binding site of a subunit is defined as a set of at least 10 atoms in the subunit that are in contact with some atoms of aligand within 5 A radius. 2. Similarity between binding site structures To pare binding site structures, we used the GIRAF structural search and alignment program with some modifications to enable faster database search and flexible alignments (unpublished). After allagainstall parisons of binding
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