Covalent glycosyl-enzyme intermediate of Hypocrea jecorina Cel7a E217Q mutant trapped using DNP-2-deoxy-2-fluoro-cellotrioside

The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies.

PROTEIN FIRST INCUBATED WITH 80 UM 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-CELLOTRIOSIDE (DNP-2F-G3)4 IN 10 MM SODIUM MES, PH 6.0. ALIQUOTS WERE TAKEN AT REGULAR TIME INTERVALS AND CONCENTRATED FOR CRYSTALLISATION IN THE PRESENCE OF 1 MM FRESH DNP-2F-G3 ADDED TO THE CRYSTALLISATION DROPS. CRYSTALLISATION CONDITION: 0.1 M MES (PH 6.0), 20% MONOMETHYL ETHER PEG 5000, 0.01 M COCL2, 12% GLYCEROL.

MICHAELIS COMPLEX OF HYPOCREA JECORINA CEL7A E217Q MUTANT WITH CELLONONAOSE SPANNING THE ACTIVE SITE

N-ACETYL-D-GLUCOSAMINE (NAG): N-GLYCOSYLATION

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 253-254 ARE DISORDERED THIS ENTRY RESULTED FROM AN OLD DATASET AND HAS INCOMPLETE DATA PROCESSING STATISTICS.

CELLULOSE 1,4-BETA-CELLOBIOSIDASE (E.C.3.2.1.91)

HYDROLASE, GLYCOSIDE HYDROLASE, CELLOBIOHYDROLASE, CELLULASE.