3DCK

X-ray structure of D25N chemical analogue of HIV-1 protease complexed with ketomethylene isostere inhibitor

Summary for 3DCK

Entry DOI	10.2210/pdb3dck/pdb
Related	3DCR
Related PRD ID	PRD_001174
Descriptor	Chemical analogue HIV-1 protease, (2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide (3 entities in total)
Functional Keywords	hiv-1 protease, homodimer, beta-turns, beta-strand, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Total number of polymer chains	2
Total formula weight	22302.25
Authors	Torbeev, V.Y.,Mandal, K.,Terechko, V.A.,Kent, S.B.H. (deposition date: 2008-06-03, release date: 2008-08-19, Last modification date: 2024-03-20)
Primary citation	Torbeev, V.Y.,Mandal, K.,Terechko, V.A.,Kent, S.B.H. Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site Bioorg.Med.Chem.Lett., 18:4554-4557, 2008 Cited by PubMed: 18657969 DOI: 10.1016/j.bmcl.2008.07.039 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation