Structure of PDB 3aiv Chain A

Receptor sequence

>3aivA (length=486) Species: 4550 (Secale cereale)

VFTKLKPWQIPKRDWFSKDFLFGASTSAYQIEGAWNEDGKGPSTWDHFCH
TYPERISDGTNGDVAANSYHMYEEDVKALKDMGMKVYRFSISWSRILPNG
TGKPNQKGIDYYNNLINSLIRHGIVPYVTIWHWDTPQALEDKYGGFLDKQ
IVNDYKYFAELCFQSFGDRVKNWFTFNEPHTYCCFSYGEGIHAPGRCSPG
LDCAVPEGDSLREPYTAGHHILLAHAEAVELFKAHYNKHGDSKIGMAFDV
MGYEPYQDSFLDDQARERSIDYNMGWFLEPVVRGDYPFSMRSLIGDRLPM
FTKEEQEKLASSCDIMGLNYYTSRFSKHVDISSDYTPTLNTDDAYASSET
TGSDGNEIGPITGTYWIYMYPKGLTDLLLIMKEKYGNPPIFITENGIADV
EGDPEMPDPLDDWKRLDYLQRHISAVKDAIDQGADVRGHFTWGLIDNFEW
GSGYSSRFGLVYIDKEDGNKRKLKKSAKWFAKFNSV

3D structure

• PDB: 3aiv Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae
• Chain: A
• Resolution: 2.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E45 C62 R101 H145 N166 D167 A172 E191 T194 N332 Y334 E407
• Catalytic site (residue number reindexed from 1): E32 C49 R88 H132 N153 D154 A159 E178 T181 N319 Y321 E394
• Enzyme Commision number: 3.2.1.182: 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase.
  3.2.1.21: beta-glucosidase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	HBO	A	E191 F198 W379 E462	E178 F185 W366 E449

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0008422 beta-glucosidase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0102726 DIMBOA glucoside beta-D-glucosidase activity

Biological Process

• GO:0005975 carbohydrate metabolic process

Cellular Component

• GO:0009507 chloroplast

External links

• PDB: RCSB:3aiv, PDBe:3aiv, PDBj:3aiv
• PDBsum: 3aiv
• PubMed: 21421370
• UniProt: Q9FYS3|HGGL_SECCE 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic