Structure of a redesigned beta barrel, mFAP0, bound to DFHBI

Summary for 6CZH

DescriptormFAP0, (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one (3 entities in total)
Functional Keywordsbeta barrel, rossetta, computational, de novo, ligand binder, de novo protein
Biological sourcesynthetic construct
Total number of polymer chains2
Total molecular weight24979.58
Doyle, L.A.,Stoddard, B.L. (deposition date: 2018-04-09, release date: 2018-09-19, Last modification date: 2020-01-01)
Primary citation
Dou, J.,Vorobieva, A.A.,Sheffler, W.,Doyle, L.A.,Park, H.,Bick, M.J.,Mao, B.,Foight, G.W.,Lee, M.Y.,Gagnon, L.A.,Carter, L.,Sankaran, B.,Ovchinnikov, S.,Marcos, E.,Huang, P.S.,Vaughan, J.C.,Stoddard, B.L.,Baker, D.
De novo design of a fluorescence-activating beta-barrel.
Nature, 561:485-491, 2018
PubMed: 30209393 (PDB entries with the same primary citation)
DOI: 10.1038/s41586-018-0509-0
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.241150 0.6% 1.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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