4rek | pdb_00004rek

Crystal structure and charge density studies of cholesterol oxidase from Brevibacterium sterolicum at 0.74 ultra-high resolution

spinqualitylabelsall models 4rek, resolution 0.74Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4rek is a 1 chain structure with sequence from Streptomyces sp. SA-COO. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 0.74Å Ligands: FAD, PO4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function CHOD_STRS0 Bifunctional enzyme that catalyzes the oxidation of the 3-beta-hydroxy group of cholesterol and the isomerization of the double bond of the resulting product. Publication Abstract from PubMed Examination of protein structure at the subatomic level is required to improve the understanding of enzymatic function. For this purpose, X-ray diffraction data have been collected at 100 K from cholesterol oxidase crystals using synchrotron radiation to an optical resolution of 0.94 A. After refinement using the spherical atom model, nonmodelled bonding peaks were detected in the Fourier residual electron density on some of the individual bonds. Well defined bond density was observed in the peptide plane after averaging maps on the residues with the lowest thermal motion. The multipolar electron density of the protein-cofactor complex was modelled by transfer of the ELMAM2 charge-density database, and the topology of the intermolecular interactions between the protein and the flavin adenine dinucleotide (FAD) cofactor was subsequently investigated. Taking advantage of the high resolution of the structure, the stereochemistry of main-chain bond lengths and of C=O...H-N hydrogen bonds was analyzed with respect to the different secondary-structure elements. Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis.,Zarychta B, Lyubimov A, Ahmed M, Munshi P, Guillot B, Vrielink A, Jelsch C Acta Crystallogr D Biol Crystallogr. 2015 Apr;71(Pt 4):954-68. doi:, 10.1107/S1399004715002382. Epub 2015 Mar 27. PMID:25849405 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Cholesterol oxidase

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