Structure of PDB 6v2l Chain A Binding Site BS02

Receptor Information
>6v2l Chain A (length=532) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQELEAYGISDVHDIVYNPSYDLLYQEELDPSLTGYERGVLTNLGAVAVD
TGIFTGRSPKDKYIVRDDTTRDTFWWADKGKGKNDNKPLSPETWQHLKGL
VTRQLSGKRLFVVDAFCGANPDTRLSVRFITEVAWQAHFVKNMFIRPSDE
ELAGFKPDFIVMNGAKCTNPQWKEQGLNSENFVAFNLTERMQLIGGTWYG
GEMKKGMFSMMNYLLPLKGIASMHCSANVGEKGDVAVFFGLAGTGKTTLS
TDPKRRLIGDDEHGWDDDGVFNFEGGCYAKTIKLSKEAEPEIYNAIRRDA
LLENVTVREDGTIDFDDGSKTENTRVSYPIYHIDNIVKPVSKAGHATKVI
FLTADAFGVLPPVSRLTADQTQYHFLSGFTAKLAGTERGITEPTPTFSAC
FGAAFLSLHPTQYAEVLVKRMQAAGAQAYLVNTGWNGTGKRISIKDTRAI
IDAILNGSLDNAETFTLPMFNLAIPTELPGVDTKILDPRNTYASPEQWQE
KAETLAKLFIDNFDKYTDTPAGAALVAAGPKL
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain6v2l Chain A Residue 602 [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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PDB6v2l Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L249 A250 F413
Binding residue
(residue number reindexed from 1)		L241 A242 F405
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R65 K213 H232 A250 K254 T255 D269 R333
Catalytic site (residue number reindexed from 1) R57 K205 H224 A242 K246 T247 D261 R325
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:6v2l, PDBe:6v2l, PDBj:6v2l
PDBsum6v2l
PubMed31911238
UniProtP22259|PCKA_ECOLI Phosphoenolpyruvate carboxykinase (ATP) (Gene Name=pckA)

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