Structure of PDB 7vi8 Chain B Binding Site BS01

Receptor Information

>7vi8 Chain B (length=253) Species: 272620 (Klebsiella pneumoniae subsp. pneumoniae MGH 78578)

ERVLIVNADDFGLSKGQNYGIIEACRNGVVTSTTALVNGAAIDHAAQLGR
STPELAVGMHFVLTLGEPLSAMPGLTRDGRLGKWIWQQAEEDSLPLEEIA
HELACQYHRFVELFGHEPTHIDSHHHVHMFAQIYPIVAAFAREKGIALRI
DRQVAAQSGLDQQAARSSAGFSSEFYGEAVSEELFLQTLDASIARGERSL
EVMCHPAYVDRIIMGSAYCYPRLDELDVLTAASLKAAVADRGYRLGTYRD
VLE

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 7vi8 Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7vi8 Crystal structure of ChbG from Klebsiella pneumoniae reveals the molecular basis of diacetylchitobiose deacetylation.
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): D10 H60 H124
• Binding residue (residue number reindexed from 1): D10 H60 H124
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.105: chitin disaccharide deacetylase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
• GO:0019213 deacetylase activity
• GO:0036311 chitin disaccharide deacetylase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0000272 polysaccharide catabolic process
• GO:0005975 carbohydrate metabolic process
• GO:0006032 chitin catabolic process
• GO:0052777 diacetylchitobiose catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7vi8, PDBe:7vi8, PDBj:7vi8
• PDBsum: 7vi8
• PubMed: 36002585
• UniProt: A6T7U7|CHBG_KLEP7 Chitooligosaccharide deacetylase (Gene Name=chbG)