4C4X

Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9

Summary for 4C4X

Related4C4Y 4C4Z
DescriptorBIFUNCTIONAL EPOXIDE HYDROLASE 2, 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea (3 entities in total)
Functional Keywordshydrolase, drug design, multiple binding modes
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains2
Total molecular weight75208.04
Authors
Pilger, J.,Mazur, A.,Monecke, P.,Schreuder, H.,Elshorst, B.,Langer, T.,Schiffer, A.,Krimm, I.,Wegstroth, M.,Lee, D.,Hessler, G.,Wendt, K.-U.,Becker, S.,Griesinger, C. (deposition date: 2013-09-09, release date: 2014-10-01, Last modification date: 2019-05-15)
Primary citation
Pilger, J.,Mazur, A.,Monecke, P.,Schreuder, H.,Elshorst, B.,Bartoschek, S.,Langer, T.,Schiffer, A.,Krimm, I.,Wegstroth, M.,Lee, D.,Hessler, G.,Wendt, K.,Becker, S.,Griesinger, C.
A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54:6511-, 2015
PubMed: 25877959 (PDB entries with the same primary citation)
DOI: 10.1002/ANIE.201500671
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.17 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2551 1.1% 3.5% 9.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution