6F1W

Crystal structure of human Casein Kinase I delta in complex with compound 31a

Summary for 6F1W

DescriptorCasein kinase I isoform delta, SULFATE ION, (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide, ... (5 entities in total)
Functional Keywordskinase, inhibitor, complex, ck1, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight75524.05
Authors
Pichlo, C.,Brunstein, E.,Baumann, U. (deposition date: 2017-11-23, release date: 2019-03-13)
Primary citation
Luxenburger, A.,Schmidt, D.,Ianes, C.,Pichlo, C.,Kruger, M.,von Drathen, T.,Brunstein, E.,Gainsford, G.J.,Baumann, U.,Knippschild, U.,Peifer, C.
Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Molecules, 24:-, 2019
PubMed: 30832206 (PDB entries with the same primary citation)
DOI: 10.3390/molecules24050873
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.864 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20710 0.6% 1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

Molmil generated image of 6f1w
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Molmil generated image of 6f1w
rotated about x axis by 90°
Molmil generated image of 6f1w
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 (6f1w.pdb2.gz [148.99 KB])
Coordinate files for Biological unit (6f1w.pdb1.gz [151.5 KB])