6CFG

Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796

Summary for 6CFG

DescriptorHemagglutinin, N-ACETYL-D-GLUCOSAMINE, N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide, ... (6 entities in total)
Functional Keywordsglycoprotein, ectodomain, n-glycosylation, viral protein
Biological sourceInfluenza A virus (A/Viet Nam/1203/2004(H5N1))
Total number of polymer chains2
Total molecular weight60333.46
Authors
Kadam, R.U.,Wilson, I.A. (deposition date: 2018-02-14, release date: 2019-02-13)
Primary citation
Dongen, M.J.P.,Kadam, R.U.,Juraszek, J.,Lawson, E.,Brandenburg, B.,Schmitz, F.,Schepens, W.,Stoops, B.,Diepen, H.A.V.,Jongeneelen, M.,Tang, C.,Vermont, J.,Real, A.V.E.O.,Blokland, S.,Garg, D.,Wu, W.,Goutier, W.,Klap, J.M.,Peeters, D.C.G.,Wu, J.,Buck, C.,Jonckers, T.H.M.,Roevens, P.,Vogels, R.,Koudstaal, W.,Friesen, R.H.E.,Raboisson, P.,Dhanak, D.,Goudsmit, J.,Wilson, I.A.
An orally bioavailable small molecule fusion inhibitor of influenza virus
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.32 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24130 0.9% 3.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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Molmil generated image of 6cfg
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Molmil generated image of 6cfg
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More Biological unit images

Molmil generated image of 6cfg
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Molmil generated image of 6cfg
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Molmil generated image of 6cfg
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6cfg.pdb1.gz [541.18 KB])