Structure of PDB 7vi6 Chain A Binding Site BS02

Receptor Information

>7vi6 Chain A (length=342) Species: 349741 (Akkermansia muciniphila ATCC BAA-835)

MLPALIGISGHEVGAEEEAAIRRLQPAGFILFSRNIDSVEQVRGLTESLR
KLCLHHPVIAVDQEGGRVVRTASLGLNLPSPASLARLGSVGGIVELGAVT
ALALRYLGVNLNFAPVLDICHDPSAANALPGRCWGDNAQDVISRGGVYAS
NLRRGGVQSCGKHFPGMGRALADPHFSLPVIGLDERELFKTDLLPFLALC
PALSSIMSAHIMLPQIDPDYPATLSERVIRGLLRDRLGFRGVVFTDDLCM
GAITTQYSPDDAAFLSLKAGCDLPLICHDPLPWLDGLASRQESLNAYDRW
DSFKRVEKLSDSLCFPFPEKASLWDSCLRRAEALCRLEEDGR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 7vi6 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7vi6 Functional and structural characterization of a GH3 beta-N-acetylhexosaminidase from Akkermansia muciniphila involved in mucin degradation
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): R50 C53 H55
• Binding residue (residue number reindexed from 1): R50 C53 H55
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.52: beta-N-acetylhexosaminidase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0004563 beta-N-acetylhexosaminidase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0009254 peptidoglycan turnover

External links

• PDB: RCSB:7vi6, PDBe:7vi6, PDBj:7vi6
• PDBsum: 7vi6
• UniProt: B2UPP0