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) |
Structure validation
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