4K4Q

TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site

Summary for 4K4Q

Entry DOI	10.2210/pdb4k4q/pdb
Related	4K4P 4K4R
Related PRD ID	PRD_000434
Descriptor	HIV-1 protease, NITRATE ION, BETA-MERCAPTOETHANOL, ... (7 entities in total)
Functional Keywords	fragment binding, exosite, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 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	23732.11
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 (1.8 Å)

Structure validation