4JEC

Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir

Summary for 4JEC

Entry DOI	10.2210/pdb4jec/pdb
Descriptor	HIV-1 protease, CHLORIDE ION, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER, ... (4 entities in total)
Functional Keywords	protease, hydrolysis, polypeptides, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus type 1 (HIV-1)
Total number of polymer chains	2
Total formula weight	22022.43
Authors	Kovalevsky, A.Y.,Weber, I.T.,Langan, P. (deposition date: 2013-02-26, release date: 2013-07-24, Last modification date: 2024-02-28)
Primary citation	Weber, I.T.,Waltman, M.J.,Mustyakimov, M.,Blakeley, M.P.,Keen, D.A.,Ghosh, A.K.,Langan, P.,Kovalevsky, A.Y. Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design. J.Med.Chem., 56:5631-5635, 2013 Cited by PubMed: 23772563 DOI: 10.1021/jm400684f PDB entries with the same primary citation
Experimental method	NEUTRON DIFFRACTION (2 Å) X-RAY DIFFRACTION (2.01 Å)

Structure validation