3QRS

HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor

Summary for 3QRS

• Entry DOI: 10.2210/pdb3qrs/pdb
• Related: 2QNN 3QBF 3QPJ 3QRM 3QRO
• Descriptor: Protease, CHLORIDE ION, 4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide, ... (4 entities in total)
• Functional Keywords: aspartyl protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 (BRU ISOLATE) (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: 2
• Total formula weight: 22291.58

Authors

Lindemann, I.,Heine, A.,Klebe, G. (deposition date: 2011-02-18, release date: 2012-02-22, Last modification date: 2023-11-01)

• Primary citation: Lindemann, I.,Klee, N.,Heine, A.,Diederich, W.E.,Klebe, G.; Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease; To be Published,

Experimental method

X-RAY DIFFRACTION (1.59 Å)