5KGX

HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

Summary for 5KGX

Entry DOI	10.2210/pdb5kgx/pdb
Related	5KGW
Descriptor	Integrase, (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, SULFATE ION, ... (4 entities in total)
Functional Keywords	integrase allini, nucleic acid binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	1
Total formula weight	18672.01
Authors	Feng, L.,Kobe, M.,Kvaratskhelia, M. (deposition date: 2016-06-13, release date: 2016-10-19, Last modification date: 2018-03-07)
Primary citation	Patel, P.A.,Kvaratskhelia, N.,Mansour, Y.,Antwi, J.,Feng, L.,Koneru, P.,Kobe, M.J.,Jena, N.,Shi, G.,Mohamed, M.S.,Li, C.,Kessl, J.J.,Fuchs, J.R. Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26:4748-4752, 2016 Cited by PubMed: 27568085 DOI: 10.1016/j.bmcl.2016.08.037 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.67 Å)

Structure validation