D30N tethered HIV-1 protease dimer/saquinavir complex

Summary for 4Q5M

Related PRD IDPRD_000454
DescriptorProtease, (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide (3 entities in total)
Functional Keywordshydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHuman immunodeficiency virus type 1 (HIV-1)
Cellular locationGag-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  P04585
Total number of polymer chains1
Total molecular weight22571.63
Prashar, V.,Bihani, S.C.,Ferrer, J.L.,Hosur, M.V. (deposition date: 2014-04-17, release date: 2015-04-08, Last modification date: 2017-08-23)
Primary citation
Prashar, V.,Bihani, S.C.,Ferrer, J.,Hosur, M.V.
Structural Basis of Why Nelfinavir-Resistant D30N Mutant of HIV-1 Protease Remains Susceptible to Saquinavir.
Chem.Biol.Drug Des., 2014
PubMed: 25487655 (PDB entries with the same primary citation)
DOI: 10.1111/cbdd.12494
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.234601.8%2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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