Structure of PDB 7z4n Chain A Binding Site BS02

Receptor Information
>7z4n Chain A (length=495) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGASMQSAANITLRQILEPNNVNLRSKKTHIVCTLGPACKSVETLVKLID
AGMDICRFNFSHGSHEDHKEMFNNVLKAQELRPNCLLGMLLDTKGPEIRT
GFLKNKEVHLKEGSKLKLVTDYEFLGDETCIACSYKKLPQSVKPGNIILI
ADGSVSCKVLETHEDHVITEVLNSAVIGERKNMNLPNVKVDLPIISEKDK
NDILNFAIPMGCNFIAASFIQSADDVRLIRNLLGPRGRHIKIIPKIENIE
GIIHFDKILAESDGIMIARGDLGMEISPEKVFLAQKLMISKCNLQGKPII
TATQMLESMTKNPRPTRAEVTDVANAVLDGTDCVMLSGETAGGKFPVEAV
TIMSKICLEAEACIDYKLLYQSLVNAIETPISVQEAVARSAVETAESIQA
SLIIALTETGYTARLIAKYKPSCTILALSASDSTVKCLNVHRGVTCIKVG
SFQGTDIVIRNAIEIAKQRNMAKVGDSVIAIHGTNLMKVVQIELE
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain7z4n Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7z4n Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K255 E257 A278 G280 D281 T313
Binding residue
(residue number reindexed from 1)		K245 E247 A268 G270 D271 T303
Annotation score5
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7z4n, PDBe:7z4n, PDBj:7z4n
PDBsum7z4n
PubMed35998635
UniProtC6KTA4

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