Structure of PDB 6dvv Chain B Binding Site BS01

Receptor Information

>6dvv Chain B (length=431) Species: 573 (Klebsiella pneumoniae)

MKKFSVVIAGGGSTFTPGIVLMLLANQDRFPLRSLKFYDNDGARQETIAE
ACKVILKEQAPEIEFSYTTDPQAAFTDVDFVMAHIRVGKYPMREQDEKIP
LRHGVLGQETCGPGGIAYGMRSIGGVLELVDYMEKYSPNAWMLNYSNPAA
IVAEATRRLRPNAKILNICDMPIGIEGRMAQIVGLKDRKQMRVRYYGLNH
FGWWTSIEDLDGNDLMPKLREYVAKYGYVPPSNDTFAKAKDVQALDPQTM
PNTYLKYYLFPDYVVAHSNPERTRANEVMDHREKNVFSACRAIIAAGKST
AGDLEIDEHASYIVDLATAIAFNTQERMLLIVPNNGAIHNFDADAMVEIP
CLVGHNGPEPLTVGDIPHFQKGLMSQQVAVEKLVVDAWEQRSYHKLWQAI
TLSKTVPSASVAKAILDDLIAANKDYWPELH

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 6dvv Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6dvv A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): N147 C169 H200
• Binding residue (residue number reindexed from 1): N147 C169 H200
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.122: maltose-6'-phosphate glucosidase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0046872 metal ion binding
• GO:0050081 maltose-6'-phosphate glucosidase activity

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0005985 sucrose metabolic process

External links

• PDB: RCSB:6dvv, PDBe:6dvv, PDBj:6dvv
• PDBsum: 6dvv
• PubMed: 36695589
• UniProt: Q9AGA6|AGLB_KLEPN 6-phospho-alpha-glucosidase (Gene Name=aglB)