Crystal structure of CERT START domain in complex with compound E16

Summary for 5ZYI

DescriptorLIPID-TRANSFER PROTEIN CERT, 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol (3 entities in total)
Functional Keywordscert, ph, start, complex, lipid transport
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight27506.39
Suzuki, M.,Nakao, N.,Ueno, M.,Sakai, S.,Egawa, D.,Hanzawa, H.,Kawasaki, S.,Kumagai, K.,Kobayashi, S.,Hanada, K. (deposition date: 2018-05-25, release date: 2019-02-27, Last modification date: 2019-03-06)
Primary citation
Nakao, N.,Ueno, M.,Sakai, S.,Egawa, D.,Hanzawa, H.,Kawasaki, S.,Kumagai, K.,Suzuki, M.,Kobayashi, S.,Hanada, K.
Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
DOI: 10.1038/s42004-019-0118-3
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.25310 0.4% 3.1% 6.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution