2QI6

Crystal structure of protease inhibitor, MIT-2-KB98 in complex with wild type HIV-1 protease

Summary for 2QI6

Entry DOI	10.2210/pdb2qi6/pdb
Related	2QHY 2QHZ 2QI0 2QI1 2QI3 2QI4 2QI5 2QI7
Descriptor	Protease, PHOSPHATE ION, N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE, ... (4 entities in total)
Functional Keywords	drug design, hiv-1 protease, protease inhibitors, hydrolase
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22375.22
Authors	Schiffer, C.A.,Nalam, M.N.L. (deposition date: 2007-07-03, release date: 2008-04-22, Last modification date: 2023-08-30)
Primary citation	Altman, M.D.,Ali, A.,Reddy, G.S.,Nalam, M.N.,Anjum, S.G.,Cao, H.,Chellappan, S.,Kairys, V.,Fernandes, M.X.,Gilson, M.K.,Schiffer, C.A.,Rana, T.M.,Tidor, B. HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130:6099-6113, 2008 Cited by PubMed: 18412349 DOI: 10.1021/ja076558p PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation