3MXD

Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease

Summary for 3MXD

Entry DOI	10.2210/pdb3mxd/pdb
Related	3MXE
Descriptor	HIV-1 protease, (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide, PHOSPHATE ION, ... (5 entities in total)
Functional Keywords	drug design, hiv-1 protease, protease inhibitors, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	HIV-1 M:B_ARV2/SF2 (HIV-1)
Cellular location	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
Total number of polymer chains	2
Total formula weight	22696.20
Authors	Nalam, M.N.L.,Schiffer, C.A. (deposition date: 2010-05-07, release date: 2010-11-10, Last modification date: 2024-03-13)
Primary citation	Ali, A.,Reddy, G.S.,Nalam, M.N.,Anjum, S.G.,Cao, H.,Schiffer, C.A.,Rana, T.M. Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones. J.Med.Chem., 53:7699-7708, 2010 Cited by PubMed: 20958050 DOI: 10.1021/jm1008743 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation