6OOT

HIV-1 Protease NL4-3 L89V, L90M Mutant in complex with darunavir

Summary for 6OOT

DescriptorNL4-3 PROTEASE, SULFATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ... (4 entities in total)
Functional Keywordshiv, nl4-3 protease, drug resistance, protease inhibitor, hydrolase inhibitor complex, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHuman immunodeficiency virus 1
Total number of polymer chains2
Total molecular weight22411.48
Authors
Henes, M.,Kosovrasti, K.,Lockbaum, G.J.,Leidner, F.,Nachum, G.S.,Nalivaika, E.A.,Bolon, D.N.A.,KurtYilmaz, N.,Schiffer, C.A.,Whitfield, T.W. (deposition date: 2019-04-23, release date: 2019-08-21, Last modification date: 2020-01-01)
Primary citation
Henes, M.,Kosovrasti, K.,Lockbaum, G.J.,Leidner, F.,Nachum, G.S.,Nalivaika, E.A.,Bolon, D.N.A.,Kurt Yilmaz, N.,Schiffer, C.A.,Whitfield, T.W.
Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
Biochemistry, 58:3711-3726, 2019
PubMed: 31386353 (PDB entries with the same primary citation)
DOI: 10.1021/acs.biochem.9b00446
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.822 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.238500 3.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload