Structure of PDB 7z4r Chain A Binding Site BS01

Receptor Information

>7z4r Chain A (length=494) Species: 36329 (Plasmodium falciparum 3D7)

AGASMQSAANITLRQILEPNNVNLRSKKTHIVCTLGPACKSVETLVKLID
AGMDICRFNFSHGSHEDHKEMFNNVLKAQELRPNCLLGMLLDTKGPEIRT
GFLKNKEVHLKEGSKLKLVTDYEFLGDETCIACSYKKLPQSVKPGNIILI
ADGSVSCKVLETHEDHVITEVLNSAVIGERKNMNLPNVKVDLPIISEKDK
NDILNFAIPMGCNFIAASFIQSADDVRLIRNLLGPRGRHIKIIPKIENIE
GIIHFDKILAESDGIMIARGDLGMEISPEKVFLAQKLMISKCNLQGKPII
TATQMLESMTKNPRPTRAEVTDVANAVLDGTDAVMLSGETAGGKFPVEAV
TIMSKICLEAEACIDYKLLYQSLVNAIETPISVQEAVARSAVETAESIQA
SLIIALTETGYTARLIAKYKPSCTILALSASDSTVKCLNVHRGVTCIKVG
SFQGTDIVIRNAIEIAKQRNMAKVGDSVIAIHGTNLMKVVQIEL

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: 7z4r Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7z4r Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E257 D281
• Binding residue (residue number reindexed from 1): E247 D271
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.40: pyruvate kinase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0004743 pyruvate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0030955 potassium ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006096 glycolytic process
• GO:0016310 phosphorylation
• GO:0051289 protein homotetramerization

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7z4r, PDBe:7z4r, PDBj:7z4r
• PDBsum: 7z4r
• PubMed: 35998635
• UniProt: C6KTA4