3TH9

Crystal Structure of HIV-1 Protease Mutant Q7K V32I L63I with a cyclic sulfonamide inhibitor

Summary for 3TH9

• Entry DOI: 10.2210/pdb3th9/pdb
• Descriptor: Gag-Pol polyprotein, tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate (3 entities in total)
• Functional Keywords: enzyme inhibition, aspartic protease, hiv/aids, conformational change, amprenavir, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 lw12.3 isolate (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): P0C6F2
• Total number of polymer chains: 2
• Total formula weight: 22594.82

Authors

Orth, P. (deposition date: 2011-08-18, release date: 2011-09-28, Last modification date: 2024-02-28)

• Primary citation: Ganguly, A.K.,Alluri, S.S.,Caroccia, D.,Biswas, D.,Wang, C.H.,Kang, E.,Zhang, Y.,McPhail, A.T.,Carroll, S.S.,Burlein, C.,Munshi, V.,Orth, P.,Strickland, C.; Design, Synthesis, and X-ray Crystallographic Analysis of a Novel Class of HIV-1 Protease Inhibitors.; J.Med.Chem., 54:7176-7183, 2011; PubMed: 21916489; DOI: 10.1021/jm200778q

Experimental method

X-RAY DIFFRACTION (1.34 Å)