2PK6

Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10033

Summary for 2PK6

• Entry DOI: 10.2210/pdb2pk6/pdb
• Related PRD ID: PRD_000585
• Descriptor: Protease, (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl- L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, ... (4 entities in total)
• Functional Keywords: protease complex, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Cellular location: Gag-Pol polyprotein: Host cell membrane ; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03367
• Total number of polymer chains: 2
• Total formula weight: 22473.66

Authors

Armstrong, A.A.,Lafont, V.,Kiso, Y.,Freire, E.,Amzel, L.M. (deposition date: 2007-04-17, release date: 2007-05-08, Last modification date: 2023-08-30)

• Primary citation: Lafont, V.,Armstrong, A.A.,Ohtaka, H.,Kiso, Y.,Mario Amzel, L.,Freire, E.; Compensating enthalpic and entropic changes hinder binding affinity optimization.; Chem.Biol.Drug Des., 69:413-422, 2007; PubMed: 17581235; DOI: 10.1111/j.1747-0285.2007.00519.x

Experimental method

X-RAY DIFFRACTION (1.45 Å)