Structure of PDB 8xw7 Chain B Binding Site BS01

Receptor Information

>8xw7 Chain B (length=500) Species: 171101 (Streptococcus pneumoniae R6)

NKRVKIVATLGPAVEIRGGKKFGEDGYWGEKLDVEASAKNIAKLIEAGAN
TFRFNFSHGDHQEQGERMATVKLAEKIAGKKVGFLLDTKGPEIRTELFEG
EAKEYSYKTGEKIRVATKQGIKSTREVIALNVAGALDIYDDVEVGRQVLV
DDGKLGLRVVAKDDATREFEVEVENDGIIAKQKGVNIPNTKIPFPALAER
DNDDIRFGLEQGINFIAISFVRTAKDVNEVRAICEETGNGHVQLFAKIEN
QQGIDNLDEIIEAADGIMIARGDMGIEVPFEMVPVYQKMIIKKVNAAGKV
VITATNMLETMTEKPRATRSEVSDVFNAVIDGTDATMLSGESANGKYPLE
SVTTMATIDKNAQALLNEYGRLDSDSFERNSKTEVMASAVKDATSSMDIK
LVVTLTKTGHTARLISKYRPNADILALTFDELTERGLMLNWGVIPMLTDA
PSSTDDMFEIAERKAVEAGLVESGDDIVIVAGVPVGEAVRTNTMRIRTVR

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: 8xw7 Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8xw7 Structural basis of nucleotide selectivity in pyruvate kinase.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): E250 D274
• Binding residue (residue number reindexed from 1): E249 D273
• 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:8xw7, PDBe:8xw7, PDBj:8xw7
• PDBsum: 8xw7
• PubMed: 39009072
• UniProt: Q8DQ84