1T3R

HIV protease wild-type in complex with TMC114 inhibitor

1T3R の概要

関連するPDBエントリー1F7A 1T7I 1T7J
分子名称protease RETROPEPSIN, PHOSPHATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ... (4 entities in total)
機能のキーワードhiv-1 protease; drug resistance; thermodynamics; substrate envelope, hydrolase
由来する生物種Human immunodeficiency virus 1
細胞内の位置Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential) P03369
ポリマー鎖数2
分子量合計22626.05
構造登録者
King, N.M.,Prabu-Jeyabalan, M.,Nalivaika, E.A.,Wigernick, P.B.,de Bethune, M.P.,Schiffer, C.A. (登録日: 2004-04-27, 公開日: 2005-05-03, 最終更新日: 2011-07-13)
主引用文献
Surleraux, D.L.,Tahri, A.,Verschueren, W.G.,Pille, G.M.,de Kock, H.A.,Jonckers, T.H.,Peeters, A.,De Meyer, S.,Azijn, H.,Pauwels, R.,de Bethune, M.P.,King, N.M.,Prabu-Jeyabalan, M.,Schiffer, C.A.,Wigerinck, P.B.
Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48:1813-1822, 2005
PubMed: 15771427 (主引用文献が同じPDBエントリー)
DOI: 10.1021/jm049560p
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.2 Å)
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構造検証レポート

ClashscoreRamachandran outliersSidechain outliers1001.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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