3NF6

Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design

Summary for 3NF6

Related1bhl 1bi4 1biu 1ex4 1k6y 3NF7 3NF8 3NF9 3NFA
DescriptorIntegrase, SULFATE ION, 1,2-ETHANEDIOL, ... (7 entities in total)
Functional Keywordsintegrase, integration, dna, see mutations, intra-cellular, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHuman immunodeficiency virus 1
Total number of polymer chains2
Total molecular weight42158.03
Authors
Peat, T.S.,Newman, J.,Deadman, J.J.,Rhodes, D. (deposition date: 2010-06-09, release date: 2011-04-27, Last modification date: 2012-05-02)
Primary citation
Rhodes, D.I.,Peat, T.S.,Vandegraaff, N.,Jeevarajah, D.,Le, G.,Jones, E.D.,Smith, J.A.,Coates, J.A.,Winfield, L.J.,Thienthong, N.,Newman, J.,Lucent, D.,Ryan, J.H.,Savage, G.P.,Francis, C.L.,Deadman, J.J.
Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21:155-168, 2011
PubMed: 21602613 (PDB entries with the same primary citation)
DOI: 10.3851/IMP1716
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.9 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2101300.8%4.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3nf6
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Molmil generated image of 3nf6
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Molmil generated image of 3nf6
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