Crystal structure of pyranose dehydrogenase from Agaricus meleagris, wildtype

[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aR)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)

N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE

The 1.6 A crystal structure of pyranose dehydrogenase from Agaricus meleagris rationalizes substrate specificity and reveals a flavin intermediate.

MLPRVTKLNSRLLSLALLGIQIARGAITYQHPDDLPSGVDYDFIVAGGGTAGLVVASRLSENSNWKVLVIEAGPSNKDAF
VTRVPGLASTLGAGSPIDWNYTTIPQDGLDGRSLDYPRAKILGGCSTHNGMVYTRGSKDDWNSWAGIIGDQGLGWDSILP
AIKKAEKFTQDFTDQSVKGHIDPSVHGFDGKLSVSAAYSNISFNDLLFETTKELNAEFPFKLDMNDGKPIGLGWTQYTID
NHAERSSSATSYLESTGDNVHVLVNTLVTRVLSASGNGTDFRKVEFAVDANSPKKQLEAKKEVIVAGGVIASPQILMNSG
IGERKVLQAVGIDTLIDNPSVGKNLSDQGATSVMFDTTLPSTDFDVDAALTEWTNSHTGPLARGARLNHLTFVRLPDDKL
NGQDPSSGKNSPHIEFQFAQITPQVPTLGVPKQAPLPAANSYRLLLQLAVVNLYSISRGSISLSDNNPFTYPLIDLNMFK
EDIDIAILREGIRSAGRMFSSKAFKNSVNKFVYPPADATSDEDLDAFLRSSTFSYVHGVGTLSMSPKGASWGVVNPDFKV
KGTSGLRVVDASVIPHAPAAHTQLPVYAFAEYASALIAKSYN

50 mM KH2PO4, 5% 2-methyl-2,4-pentanediol, 20% (w/v) polyethylene glycol 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

pyranose dehydrogenase, flavin adduct, GMC-oxidoreductase family, glycoprotein, Rossmann fold/FAD-linked reductases/Alpha and beta proteins (a+b), Oxidoreductase, FAD binding, Flavin C(4a) oxygen adduct, Secreted