3BC4

I84V HIV-1 protease in complex with a pyrrolidine diester

Summary for 3BC4

Entry DOI	10.2210/pdb3bc4/pdb
Descriptor	protease, 2-aminoethyl naphthalen-1-ylacetate, DIMETHYL SULFOXIDE, ... (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, nucleus, phosphoprotein, protease, rna-binding, rna-directed dna polymerase, transferase, viral nucleoprotein, virion, zinc, zinc-finger
Biological source	Human immunodeficiency virus type 1 (Viruses)
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	11326.41
Authors	Boettcher, J.,Blum, A.,Heine, A.,Diederich, W.E.,Klebe, G. (deposition date: 2007-11-12, release date: 2008-09-02, Last modification date: 2023-11-01)
Primary citation	Blum, A.,Heine, A.,Diederich, W.E.,Klebe, G. Targeting the open-flap conformation of HIV-1 protease with pyrrolidine-based inhibitors Chemmedchem, 3:1337-1344, 2008 Cited by PubMed: 18720485 DOI: 10.1002/cmdc.200800113 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.82 Å)

Structure validation