4HDB

Crystal Structure of HIV-1 protease mutants D30N complexed with inhibitor GRL-0519

Summary for 4HDB

Entry DOI	10.2210/pdb4hdb/pdb
Related	3OK9 4HDF 4HDP 4HE9 4HEG
Descriptor	HIV-1 Protease, (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, SODIUM ION, ... (5 entities in total)
Functional Keywords	aspartic acid protease, drug resistance, hiv-1 protease inhibitor grl-0519, 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): P03367
Total number of polymer chains	2
Total formula weight	22177.99
Authors	Zhang, H.,Wang, Y.-F.,Shen, C.H.,Agniswamy, J.,Weber, I.T. (deposition date: 2012-10-02, release date: 2013-08-14, Last modification date: 2023-09-20)
Primary citation	Zhang, H.,Wang, Y.F.,Shen, C.H.,Agniswamy, J.,Rao, K.V.,Xu, C.X.,Ghosh, A.K.,Harrison, R.W.,Weber, I.T. Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56:1074-1083, 2013 Cited by PubMed: 23298236 DOI: 10.1021/jm301519z PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.49 Å)

Structure validation