4O55

HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid

Summary for 4O55

Entry DOI	10.2210/pdb4o55/pdb
Related	1ITG 4O0J 4O5B
Descriptor	Integrase, (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, SULFATE ION, ... (4 entities in total)
Functional Keywords	hiv integrase, ccd, dde motif, allosteric inhibitor, viral protein-inhibitor complex, viral protein/inhibitor
Biological source	Human immunodeficiency virus type 1 (HIV-1)
Cellular location	Gag-Pol polyprotein: Host cell membrane; Lipid-anchor . Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P12497
Total number of polymer chains	1
Total formula weight	18904.59
Authors	Feng, L.,Kvaratskhelia, M. (deposition date: 2013-12-19, release date: 2014-07-02, Last modification date: 2017-11-22)
Primary citation	Sharma, A.,Slaughter, A.,Jena, N.,Feng, L.,Kessl, J.J.,Fadel, H.J.,Malani, N.,Male, F.,Wu, L.,Poeschla, E.,Bushman, F.D.,Fuchs, J.R.,Kvaratskhelia, M. A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase. Plos Pathog., 10:e1004171-e1004171, 2014 Cited by PubMed: 24874515 DOI: 10.1371/journal.ppat.1004171 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.24 Å)

Structure validation