Structure of PDB 6crt Chain A Binding Site BS02

Receptor Information
>6crt Chain A (length=531) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QELEAYGISDVHDIVYNPSYDLLYQEELDPSLTGYERGVLTNLGAVAVDT
GIFTGQSPKDKYIVRDDTTRDTFWWADKGKGKNDNKPLSPETWQHLKGLV
TRQLSGKRLFVVDAFCGANPDTRLSVRFITEVAWQAHFVKNMFIRPSDEE
LAGFKPDFIVMNGAKCTNPQWKEQGLNSENFVAFNLTERMQLIGGTWYGG
EMKKGMFSMMNYLLPLKGIASMHCSANVGEKGDVAVFFGLSGTGKTTLST
DPKRRLIGDDEHGWDDDGVFNFEGGCYAKTIKLSKEAEPEIYNAIRRDAL
LENVTVREDGTIDFDDGSKTENTRVSYPIYHIDNIVKPVSKAGHATKVIF
LTADAFGVLPPVSRLTADQTQYHFLSGFTAKLAGTERGITEPTPTFSACF
GAAFLSLHPTQYAEVLVKRMQAAGAQAYLVNTGWNGTGKRISIKDTRAII
DAILNGSLDNAETFTLPMFNLAIPTELPGVDTKILDPRNTYASPEQWQEK
AETLAKLFIDNFDKYTDTPAGAALVAAGPKL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6crt 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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PDB6crt Arg65Gln Mutagenic E.coli PCK
Resolution1.995 Å
Binding residue
(original residue number in PDB)		K213 H232 D269
Binding residue
(residue number reindexed from 1)		K204 H223 D260
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q65 K213 H232 S250 K254 T255 D269 R333
Catalytic site (residue number reindexed from 1) Q56 K204 H223 S241 K245 T246 D260 R324
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:6crt, PDBe:6crt, PDBj:6crt
PDBsum6crt
PubMed
UniProtP22259|PCKA_ECOLI Phosphoenolpyruvate carboxykinase (ATP) (Gene Name=pckA)

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