Structure of PDB 8xw8 Chain A Binding Site BS01

Receptor Information

>8xw8 Chain A (length=501) Species: 171101 (Streptococcus pneumoniae R6)

MNKRVKIVATLGPAVEIRGGKKFGEDGYWGEKLDVEASAKNIAKLIEAGA
NTFRFNFSHGDHQEQGERMATVKLAEKIAGKKVGFLLDTKGPEIRTELFE
GEAKEYSYKTGEKIRVATKQGIKSTREVIALNVAGALDIYDDVEVGRQVL
VDDGKLGLRVVAKDDATREFEVEVENDGIIAKQKGVNIPNTKIPFPALAE
RDNDDIRFGLEQGINFIAISFVRTAKDVNEVRAICEETGNGHVQLFAKIE
NQQGIDNLDEIIEAADGIMIARGDMGIEVPFEMVPVYQKMIIKKVNAAGK
VVITATNMLETMTEKPRATRSEVSDVFNAVIDGTDATMLSGESANGKYPL
ESVTTMATIDKNAQALLNEYGRLDSDSFERNSKTEVMASAVKDATSSMDI
KLVVTLTKTGHTARLISKYRPNADILALTFDELTERGLMLNWGVIPMLTD
APSSTDDMFEIAERKAVEAGLVESGDDIVIVAGVPVGEAVRTNTMRIRTV
R

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: 8xw8 Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8xw8 Structural basis of nucleotide selectivity in pyruvate kinase.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E250 D274
• Binding residue (residue number reindexed from 1): E250 D274
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004743 pyruvate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006096 glycolytic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:8xw8, PDBe:8xw8, PDBj:8xw8
• PDBsum: 8xw8
• PubMed: 39009072
• UniProt: Q8DQ84