3DCR

X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor

Summary for 3DCR

Entry DOI	10.2210/pdb3dcr/pdb
Related	3DCK
Related PRD ID	PRD_001037
Descriptor	Chemical analogue HIV-1 protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide (3 entities in total)
Functional Keywords	hiv-1 protease, homodimer, beta-turn, beta-strand, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Total number of polymer chains	2
Total formula weight	22322.24
Authors	Torbeev, V.Y.,Mandal, K.,Terechko, V.A.,Kent, S.B.H. (deposition date: 2008-06-04, release date: 2008-08-19, Last modification date: 2023-11-15)
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 (1.4 Å)

Structure validation