3VFB

Crystal Structure of HIV-1 Protease Mutant N88D with novel P1'-Ligands GRL-02031

Summary for 3VFB

• Entry DOI: 10.2210/pdb3vfb/pdb
• Related: 3H5B 3VF5 3VF7 3VFA
• Descriptor: protease, (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, ... (6 entities in total)
• Functional Keywords: protease inhibitor, p1'-ligand, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 (BRU ISOLATE) (HIV-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: 22455.21

Authors

Yu, X.X.,Wang, Y.F.,Chang, Y.C.E.,Weber, I.T. (deposition date: 2012-01-09, release date: 2012-11-21, Last modification date: 2023-09-13)

• Primary citation: Chang, Y.C.,Yu, X.,Zhang, Y.,Tie, Y.,Wang, Y.F.,Yashchuk, S.,Ghosh, A.K.,Harrison, R.W.,Weber, I.T.; Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.; J.Med.Chem., 55:3387-3397, 2012; PubMed: 22401672; DOI: 10.1021/jm300072d

Experimental method

X-RAY DIFFRACTION (1.55 Å)