Crystal structure of human immunodeficiency virus (HIV) type 2 protease in complex with a reduced amide inhibitor and comparison with HIV-1 protease structures.
Crystal structure of human immunodeficiency virus (HIV) type 2 protease in complex with a reduced amide inhibitor and comparison with HIV-1 protease structures.
复制标题
人类免疫缺陷病毒 (HIV) 2 型蛋白酶与还原酰胺抑制剂复合物的晶体结构以及与 HIV-1 蛋白酶结构的比较。
DOI：
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发表时间：
1993
影响因子：
11.1
通讯作者：
P. Anderson
中科院分区：
文献类型：
--
作者：
L. Tong;S. Pav;C. Pargellis;F. Dô;D. Lamarre;P. Anderson
还原性酰胺抑制剂BI-LA-398复合物中HIV-2蛋白酶的晶体结构在2.2 a的分辨率下测定了ph - val - ph -psi (CH2NH)- leu - glu - il -amide]，并将其细化到17.6%的晶体学R因子。键长与理想的均方根偏差为0.018 A，键角偏差为2.8度。HIV-1和HIV-2蛋白酶之间最大的结构差异位于15-20、34-40和65-73残基，远离皮瓣区和底物结合位点。排除这些残基后，HIV-1和HIV-2蛋白酶结构的等效C α原子之间的均方根距离为0.5 A。在这种抑制剂存在的情况下，S1和S2口袋的形状基本上不受HIV-1和HIV-2蛋白酶之间氨基酸差异的影响。抑制剂与HIV-2蛋白酶的相互作用类似于在HIV-1蛋白酶结构中观察到的相互作用。抑制剂的未保护N端与Asp-29和Asp-30的侧链相互作用。抑制剂的谷氨酸侧链与残基129和130的主链氨基形成氢键。
The crystal structure of HIV-2 protease in complex with a reduced amide inhibitor [BI-LA-398; Phe-Val-Phe-psi (CH2NH)-Leu-Glu-Ile-amide] has been determined at 2.2-A resolution and refined to a crystallographic R factor of 17.6%. The rms deviation from ideality in bond lengths is 0.018 A and in bond angles is 2.8 degrees. The largest structural differences between HIV-1 and HIV-2 proteases are located at residues 15-20, 34-40, and 65-73, away from the flap region and the substrate binding sites. The rms distance between equivalent C alpha atoms of HIV-1 and HIV-2 protease structures excluding these residues is 0.5 A. The shapes of the S1 and S2 pockets in the presence of this inhibitor are essentially unperturbed by the amino acid differences between HIV-1 and HIV-2 proteases. The interaction of the inhibitor with HIV-2 protease is similar to that observed in HIV-1 protease structures. The unprotected N terminus of the inhibitor interacts with the side chains of Asp-29 and Asp-30. The glutamate side chain of the inhibitor forms hydrogen bonds with the main-chain amido groups of residues 129 and 130.
影响因子：
2.9
作者：
GRIFFITHS, JT;PHYLIP, LH;KAY, J
通讯作者：
KAY, J
DOI：
10.1073/pnas.87.22.8805
发表时间：
1990-11
影响因子：
11.1
作者：
A. Swain;M. Miller;Jeremy J Green;D. Rich;J. Schneider;S. Kent;A. Wlodawer
通讯作者：
A. Swain;M. Miller;Jeremy J Green;D. Rich;J. Schneider;S. Kent;A. Wlodawer
人类免疫缺陷病毒 1 型和 2 型蛋白酶的特异性和抑制作用。
DOI：
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发表时间：
1990
期刊：
The Journal of biological chemistry
影响因子：
--
作者：
Tomasselli,AG;Hui,JO;Sawyer,TK;Staples,DJ;Bannow,C;Reardon,IM;Howe,WJ;DeCamp,DL;Craik,CS;Heinrikson,RL
通讯作者：
Heinrikson,RL