6OPW

HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, V82F, I84V Mutant in complex with darunavir

Summary for 6OPW

DescriptorProtease NL4-3, 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 weight22575.57
Authors
Lockbaum, G.J.,Henes, M.,Kosovrasti, K.,Leidner, F.,Nachum, G.S.,Nalivaika, E.A.,Bolon, D.N.A.,KurtYilmaz, N.,Schiffer, C.A. (deposition date: 2019-04-25, release date: 2019-09-04, Last modification date: 2020-01-01)
Primary citation
Henes, M.,Lockbaum, G.J.,Kosovrasti, K.,Leidner, F.,Nachum, G.S.,Nalivaika, E.A.,Lee, S.K.,Spielvogel, E.,Zhou, S.,Swanstrom, R.,Bolon, D.N.A.,Kurt Yilmaz, N.,Schiffer, C.A.
Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14:2441-2452, 2019
PubMed: 31361460 (PDB entries with the same primary citation)
DOI: 10.1021/acschembio.9b00370
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.1 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.26380 1.2% 6.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload