4FE6

Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor

Summary for 4FE6

Entry DOI	10.2210/pdb4fe6/pdb
Descriptor	HIV protease, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate (3 entities in total)
Functional Keywords	hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Human immunodeficiency virus type 1 (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): P03367
Total number of polymer chains	1
Total formula weight	11446.52
Authors	Silva, A.M.,Eissenstat, M.,Guerassina, T.,Gulnik, S.,Afonina, E.,Yu, B.,Erickson, J.,Ludke, D.,Yokoe, H. (deposition date: 2012-05-29, release date: 2012-07-18, Last modification date: 2024-02-28)
Primary citation	Eissenstat, M.,Guerassina, T.,Gulnik, S.,Afonina, E.,Silva, A.M.,Ludtke, D.,Yokoe, H.,Yu, B.,Erickson, J. Enamino-oxindole HIV protease inhibitors. Bioorg.Med.Chem.Lett., 22:5078-5083, 2012 Cited by PubMed: 22749283 DOI: 10.1016/j.bmcl.2012.05.120 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation