2PWR

HIV-1 protease in complex with a carbamoyl decorated pyrrolidine-based inhibitor

Summary for 2PWR

Entry DOI	10.2210/pdb2pwr/pdb
Related	1XL2 2PQZ 2PWC
Descriptor	Gag-Pol polyprotein (Pr160Gag-Pol), CHLORIDE ION, 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, ... (5 entities in total)
Functional Keywords	protein-ligand complex, hydrolase
Biological source	Human immunodeficiency virus 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	22453.73
Authors	Boettcher, B.,Blum, A.,Heine, A.,Diederich, W.E.,Klebe, G. (deposition date: 2007-05-12, release date: 2008-04-15, Last modification date: 2024-03-13)
Primary citation	Blum, A.,Bottcher, J.,Heine, A.,Klebe, G.,Diederich, W.E. Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51:2078-2087, 2008 Cited by PubMed: 18348517 DOI: 10.1021/jm701142s PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation