Structure of PDB 6jku Chain A Binding Site BS01

Receptor Information

>6jku Chain A (length=385) Species: 747 (Pasteurella multocida)

LYKKAGFMYAFVNAVIYTAKDVLYGKALVVDGDKISAILPVEDVPENLQK
IDLQGNNLTAGFIDLQLNGCGGVMFNEDISVKTLEIMQETNLKSGTTSYL
PTFITSPDEGMKDAVKVMREYLTQYKNQALGLHFEGPYLSVEKKGVHREE
YIRAISPEMKTFLCDNADVITKITLAAENPTAQYIPDFVEKGIIVSLGHS
NATYDVAQQAIEKGASFATHLHNAMSPISSGRAMGVVGAVLDSDIYTGII
VDGLHVDYGNIRLDKKVKGDKLCIVTDATAAAGADIDSFVFVGKTVYVRD
GKCYDSNGTLGGAAITMIESVKNAVQEVGIPLDETLRMCNYYPAKAIGVD
HKLGSIEVGKIANLTAFTNDFNVLGTAVNGEWKAN

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: 6jku Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6jku Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): E128 H192 H213
• Binding residue (residue number reindexed from 1): E135 H199 H220
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.25: N-acetylglucosamine-6-phosphate deacetylase.

Gene Ontology

Molecular Function

• GO:0008448 N-acetylglucosamine-6-phosphate deacetylase activity
• GO:0016787 hydrolase activity
• GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0006040 amino sugar metabolic process
• GO:0006044 N-acetylglucosamine metabolic process
• GO:0006046 N-acetylglucosamine catabolic process

External links

• PDB: RCSB:6jku, PDBe:6jku, PDBj:6jku
• PDBsum: 6jku
• PubMed: 32865821
• UniProt: Q9CMF5