4K4P

TL-3 inhibited Trp6Ala HIV Protease

Summary for 4K4P

Entry DOI	10.2210/pdb4k4p/pdb
Related	4K4Q 4K4R
Related PRD ID	PRD_000434
Descriptor	HIV-1 protease, NITRATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, ... (4 entities in total)
Functional Keywords	fragment binding, exosite, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus type 1 (HIV-1)
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): P12499
Total number of polymer chains	2
Total formula weight	22404.48
Authors	Tiefenbrunn, T.,Stout, C.D. (deposition date: 2013-04-12, release date: 2013-09-18, Last modification date: 2024-02-28)
Primary citation	Tiefenbrunn, T.,Forli, S.,Happer, M.,Gonzalez, A.,Tsai, Y.,Soltis, M.,Elder, J.H.,Olson, A.J.,Stout, C.D. Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease. Chem.Biol.Drug Des., 83:141-148, 2014 Cited by PubMed: 23998903 DOI: 10.1111/cbdd.12227 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.31 Å)

Structure validation