5KRT

HIV-1 Integrase Catalytic Core Domain (CCD) in Complex with a Fragment-Derived Allosteric Inhibitor

Summary for 5KRT

Entry DOI	10.2210/pdb5krt/pdb
Related	5KRS
Descriptor	Integrase, 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid (3 entities in total)
Functional Keywords	hiv-1 integrase; catalytic core domain (ccd); p75/ledgf inhibitor, hydrolase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	1
Total formula weight	17506.26
Authors	Patel, D.,Bauman, J.D.,Arnold, E. (deposition date: 2016-07-07, release date: 2016-09-28, Last modification date: 2019-12-25)
Primary citation	Patel, D.,Antwi, J.,Koneru, P.C.,Serrao, E.,Forli, S.,Kessl, J.J.,Feng, L.,Deng, N.,Levy, R.M.,Fuchs, J.R.,Olson, A.J.,Engelman, A.N.,Bauman, J.D.,Kvaratskhelia, M.,Arnold, E. A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain. J.Biol.Chem., 291:23569-23577, 2016 Cited by PubMed: 27645997 DOI: 10.1074/jbc.M116.753384 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.651 Å)

Structure validation