Structure of PDB 6v2n Chain A Binding Site BS01

Receptor Information
>6v2n Chain A (length=518) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLTPQELEAYGISDVHDIVYNPSYDLLYQEELDPSLTGYERGVLTNLGAV
AVDTGIFTGRSPKDKYIVRDDTTRDTFWWADKGKGKNDNKPLSPETWQHL
KGLVTRQLSGKRLFVVDAFCGANPDTRLSVRFITEVAWQAHFVKNMFIRP
SDEELAGFKPDFIVMNGAKCTNPQWKEQGLNSENFVAFNLTERMQLIGGT
WYGGEMKKGMFSMMNYLLPLKGIASMHCSANVGEAGDVAVFFGLTLSTDP
ARRLIGDDEHGWDDDGVFNFEGGSYAKTIKLSKEAEPEIYAAIRRDALLE
NVTKRENGTIDFDDGSKTENTRVSYPIYHIDNIVKPVSKAGHATKVIFLT
ADAFGVLPPVSRLTADQTQYHFLSGFTAPTPTFSACFGAAFLSLHPTQYA
EVLVKRMQAAGAQAYLVNTGWNGTGKRISIKDTRAIIDAILNGSLDNAET
FTLPMFNLAIPTELPGVDTGILDPRNTYASPEQWQEKAETLAKLFIDNFD
KYTDTPAGAALVAAGPAL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6v2n Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6v2n Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		K213 H232 D269
Binding residue
(residue number reindexed from 1)		K208 H227 D258
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R65 K213 H232 D269 R333
Catalytic site (residue number reindexed from 1) R60 K208 H227 D258 R322
Enzyme Commision number 4.1.1.49: phosphoenolpyruvate carboxykinase (ATP).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004611 phosphoenolpyruvate carboxykinase activity
GO:0004612 phosphoenolpyruvate carboxykinase (ATP) activity
GO:0005509 calcium ion binding
GO:0005524 ATP binding
GO:0016831 carboxy-lyase activity
GO:0017076 purine nucleotide binding
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6v2n, PDBe:6v2n, PDBj:6v2n
PDBsum6v2n
PubMed31911238
UniProtP22259|PCKA_ECOLI Phosphoenolpyruvate carboxykinase (ATP) (Gene Name=pckA)

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