5E5J

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

Summary for 5E5J

• Entry DOI: 10.2210/pdb5e5j/pdb
• Descriptor: Protease, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE (3 entities in total)
• Functional Keywords: protease hiv-1 drug resistant mutant inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22057.07

Authors

Kovalevsky, A.Y.,Gerlits, O.O. (deposition date: 2015-10-08, release date: 2016-05-04, Last modification date: 2024-03-06)

• Primary citation: Gerlits, O.,Wymore, T.,Das, A.,Shen, C.H.,Parks, J.M.,Smith, J.C.,Weiss, K.L.,Keen, D.A.,Blakeley, M.P.,Louis, J.M.,Langan, P.,Weber, I.T.,Kovalevsky, A.; Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.; Angew.Chem.Int.Ed.Engl., 55:4924-4927, 2016; PubMed: 26958828; DOI: 10.1002/anie.201509989

Experimental method

NEUTRON DIFFRACTION (2 Å)
X-RAY DIFFRACTION (1.85 Å)