6I11

CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3

Summary for 6I11

DescriptorFascin, ACETATE ION, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide, ... (4 entities in total)
Functional Keywordsactin bundling, small molecule inhibition, structural protein
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight55019.32
Authors
Schuettelkopf, A.W. (deposition date: 2018-10-27, release date: 2019-02-27, Last modification date: 2019-03-20)
Primary citation
Francis, S.,Croft, D.,Schuttelkopf, A.W.,Parry, C.,Pugliese, A.,Cameron, K.,Claydon, S.,Drysdale, M.,Gardner, C.,Gohlke, A.,Goodwin, G.,Gray, C.H.,Konczal, J.,McDonald, L.,Mezna, M.,Pannifer, A.,Paul, N.R.,Machesky, L.,McKinnon, H.,Bower, J.
Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29:1023-1029, 2019
PubMed: 30773430 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2019.01.035
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.67 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.25020 0.8% 2.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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