3KDB

Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006

Summary for 3KDB

• Entry DOI: 10.2210/pdb3kdb/pdb
• Related: 2PK5 2PK6 3KDC 3KDD
• Related PRD ID: PRD_000575
• Descriptor: Protease, GLYCEROL, (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, ... (4 entities in total)
• Functional Keywords: viral protein, hydrolase, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 (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): P03367
• Total number of polymer chains: 2
• Total formula weight: 22333.49

Authors

Chufan, E.E.,Lafont, V.,Freire, E.,Amzel, L.M. (deposition date: 2009-10-22, release date: 2010-03-02, Last modification date: 2023-09-06)

• Primary citation: Kawasaki, Y.,Chufan, E.E.,Lafont, V.,Hidaka, K.,Kiso, Y.,Mario Amzel, L.,Freire, E.; How much binding affinity can be gained by filling a cavity?; Chem.Biol.Drug Des., 75:143-151, 2010; PubMed: 20028396; DOI: 10.1111/j.1747-0285.2009.00921.x

Experimental method

X-RAY DIFFRACTION (1.66 Å)