6EG9

IRAK4 in complex with Ponatinib

Summary for 6EG9

DescriptorInterleukin-1 receptor-associated kinase 4, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide, SULFATE ION, ... (5 entities in total)
Functional Keywordsinhibitor, complex, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight71135.88
Authors
Wang, L.,Wu, H. (deposition date: 2018-08-19, release date: 2019-02-20)
Primary citation
Wang, L.,Ferrao, R.,Li, Q.,Hatcher, J.M.,Choi, H.G.,Buhrlage, S.J.,Gray, N.S.,Wu, H.
Conformational flexibility and type II inhibition of IRAK4
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.414 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24910 0.2% 1.9% 2.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6eg9
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Molmil generated image of 6eg9
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More Biological unit images

Molmil generated image of 6eg9
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Molmil generated image of 6eg9
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Molmil generated image of 6eg9
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 (6eg9.pdb1.gz [93.19 KB])
Coordinate files for Biological unit (6eg9.pdb2.gz [183.38 KB])