Kim Choel, Xuong Nguyen-Huu, Taylor Susan S
Department of Chemistry and Biochemistry, University of California, San Diego, CA 92093, USA.
Science. 2005 Feb 4;307(5710):690-6. doi: 10.1126/science.1104607.
The 2.0-angstrom structure of the cyclic adenosine monophosphate (cAMP)-dependent protein kinase (PKA) catalytic subunit bound to a deletion mutant of a regulatory subunit (RIalpha) defines a previously unidentified extended interface. The complex provides a molecular mechanism for inhibition of PKA and suggests how cAMP binding leads to activation. The interface defines the large lobe of the catalytic subunit as a stable scaffold where Tyr247 in the G helix and Trp196 in the phosphorylated activation loop serve as anchor points for binding RIalpha. These residues compete with cAMP for the phosphate binding cassette in RIalpha. In contrast to the catalytic subunit, RIalpha undergoes major conformational changes when the complex is compared with cAMP-bound RIalpha. The inhibitor sequence docks to the active site, whereas the linker, also disordered in free RIalpha, folds across the extended interface. The beta barrel of cAMP binding domain A, which is the docking site for cAMP, remains largely intact in the complex, whereas the helical subdomain undergoes major reorganization.
与调节亚基(RIα)缺失突变体结合的环磷酸腺苷(cAMP)依赖性蛋白激酶(PKA)催化亚基的2.0埃结构定义了一个以前未被识别的扩展界面。该复合物为PKA的抑制提供了一种分子机制,并提示了cAMP结合如何导致激活。该界面将催化亚基的大结构域定义为一个稳定的支架,其中G螺旋中的Tyr247和磷酸化激活环中的Trp196作为结合RIα的锚定点。这些残基与cAMP竞争RIα中的磷酸结合盒。与催化亚基不同,当将该复合物与结合cAMP的RIα进行比较时,RIα会发生主要的构象变化。抑制剂序列对接至活性位点,而在游离RIα中也无序的连接子则折叠穿过扩展界面。作为cAMP对接位点的cAMP结合结构域A的β桶在复合物中基本保持完整,而螺旋亚结构域则发生了主要的重组。