Chemical Sciences, Wyeth Research, Pearl River, New York 10965, USA.
Protein Sci. 2010 Apr;19(4):763-74. doi: 10.1002/pro.355.
The development of a kinase structural database, the kinase knowledge base (KKB), is described. It covers all human kinase domain structures that have been deposited in the Protein Data Bank. All structures are renumbered using a common scheme, which enables efficient cross-comparisons and multiple queries of interest to the kinase field. The common numbering scheme is also used to automatically annotate conserved residues and motifs, and conformationally classify the structures based on the DFG-loop and Helix C. Analyses of residue conservation in the ATP binding site using the full human-kinome-sequence alignment lead to the identification of a conserved hydrogen bond between the hinge region backbone and a glycine in the specificity surface. Furthermore, 90% of kinases are found to have at least one stabilizing interaction for the hinge region, which has not been described before.
激酶结构数据库，激酶知识库（KKB）的开发情况如下。它涵盖了所有已在蛋白质数据库中储存的人类激酶结构域结构。所有结构都使用通用方案进行重新编号，这使得对激酶领域的高效交叉比较和多种查询变得可能。通用编号方案还用于自动注释保守残基和基序，并根据 DFG 环和 C 螺旋对结构进行构象分类。使用完整的人类激酶组序列比对分析 ATP 结合位点的残基保守性，可确定铰链区骨架与特异性表面上的一个甘氨酸之间的保守氢键。此外，还发现 90%的激酶至少有一个稳定铰链区的相互作用，这是以前没有描述过的。
