2QNQ
HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor
Summary for 2QNQ
| Entry DOI | 10.2210/pdb2qnq/pdb |
| Related | 2PQZ 2PWC 2PWR 2QNN 2QNP |
| Descriptor | Gag-Pol polyprotein (Pr160Gag-Pol), CHLORIDE ION, N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide), ... (4 entities in total) |
| Functional Keywords | protein-ligand complex, aids, aspartyl protease, capsid maturation, core protein, cytoplasm, dna integration, dna recombination, dna-directed dna polymerase, endonuclease, hydrolase, lipoprotein, magnesium, membrane, metal-binding, multifunctional enzyme, myristate, nuclease, nucleotidyltransferase, phosphorylation, protease, rna-binding, rna-directed dna polymerase, transferase, viral nucleoprotein, virion, zinc, zinc-finger |
| 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 | 22344.48 |
| Authors | Boettcher, J.,Blum, A.,Heine, A.,Diederich, W.E.,Klebe, G. (deposition date: 2007-07-19, 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: 18348517DOI: 10.1021/jm701142s PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
Download full validation report
