6DV4

HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand

Summary for 6DV4

Entry DOI	10.2210/pdb6dv4/pdb
Related	2IEN 6DV0
Descriptor	Protease, SODIUM ION, CHLORIDE ION, ... (7 entities in total)
Functional Keywords	aspartic acid protease, hiv-1 protease inhibitor of grl-04315a, tetrahydronaphthalene carboxamide, p2 ligand, drug resistance, design and synthesis, hydrolase, antiviral protein
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22422.25
Authors	Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2018-06-22, release date: 2018-10-31, Last modification date: 2023-10-11)
Primary citation	Ghosh, A.K.,Jadhav, R.D.,Simpson, H.,Kovela, S.,Osswald, H.,Agniswamy, J.,Wang, Y.F.,Hattori, S.I.,Weber, I.T.,Mitsuya, H. Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem, 160:171-182, 2018 Cited by PubMed: 30340140 DOI: 10.1016/j.ejmech.2018.09.046 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.14 Å)

Structure validation