Extended Data Fig. 6: Active site of CelOCE.
From: A metagenomic ‘dark matter’ enzyme catalyses oxidative cellulose conversion
(a) Surface representation of CelOCE, emphasizing the buried nature of the catalytic copper, located approximately 5 Å from the protein surface. The copper is shown as an orange sphere. (b) Cartoon representation of CelOCE with the docked cellotetraose, demonstrating room for the accommodation of a disaccharide within the active-site pocket (−2 and −1 subsites). (c) Detailed view of the CelOCE active site, demonstrating its stereochemical compatibility with glucosyl moieties. The docked cellooligosaccharide shows the non-reducing end glucosyl (−2) residue anchored primarily by interactions with E96 and Q50, while the −1 glucosyl residue stacks against F33, productively positioning the C1 atom for oxidative attack by the catalytic copper.
