5T8H

Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with amprenavir at pH 6.0

Summary for 5T8H

Entry DOI	10.2210/pdb5t8h/pdb
Descriptor	Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER (3 entities in total)
Functional Keywords	aspartic protease drug resistant mutant amprenavir, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22015.03
Authors	Kovalevsky, A.Y.,Gerlits, O.O. (deposition date: 2016-09-07, release date: 2017-03-01, Last modification date: 2024-04-03)
Primary citation	Gerlits, O.,Keen, D.A.,Blakeley, M.P.,Louis, J.M.,Weber, I.T.,Kovalevsky, A. Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K. J. Med. Chem., 60:2018-2025, 2017 Cited by PubMed: 28195728 DOI: 10.1021/acs.jmedchem.6b01767 PDB entries with the same primary citation
Experimental method	NEUTRON DIFFRACTION (2.2 Å) X-RAY DIFFRACTION (1.85 Å)

Structure validation