3A2O

Crystal Structure of HIV-1 Protease Complexed with KNI-1689

Summary for 3A2O

Entry DOI	10.2210/pdb3a2o/pdb
Related	1hpx 1msm 1msn 2zye 3fx5
Related PRD ID	PRD_000584
Descriptor	PROTEASE, GLYCEROL, (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide, ... (4 entities in total)
Functional Keywords	hiv-1 protease, inhibitor, aspartyl protease, hydrolase, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22142.17
Authors	Adachi, M.,Tamada, T.,Hidaka, K.,Kimura, T.,Kiso, Y.,Kuroki, R. (deposition date: 2009-05-26, release date: 2010-03-02, Last modification date: 2021-11-10)
Primary citation	Hidaka, K.,Kimura, T.,Abdel-Rahman, H.M.,Nguyen, J.T.,McDaniel, K.F.,Kohlbrenner, W.E.,Molla, A.,Adachi, M.,Tamada, T.,Kuroki, R.,Katsuki, N.,Tanaka, Y.,Matsumoto, H.,Wang, J.,Hayashi, Y.,Kempf, D.J.,Kiso, Y. Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket. J.Med.Chem., 52:7604-7617, 2009 Cited by PubMed: 19954246 DOI: 10.1021/jm9005115 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (0.88 Å)

Structure validation