Structure of PDB 2olr Chain A Binding Site BS01

Receptor Information
>2olr Chain A (length=535) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLTPQELEAYGISDVHDIVYNPSYDLLYQEELDPSLTGYERGVLTNLGAV
AVDTGIFTGRSPKDKYIVRDDTTRDTFWWADKGKGKNDNKPLSPETWQHL
KGLVTRQLSGKRLFVVDAFCGANPDTRLSVRFITEVAWQAHFVKNMFIRP
SDEELAGFKPDFIVMNGAKCTNPQWKEQGLNSENFVAFNLTERMQLIGGT
WYGGEMKKGMFSMMNYLLPLKGIASMHCSANVGEKGDVAVFFGLSGTGKT
TLSTDPKRRLIGDDEHGWDDDGVFNFEGGCYAKTIKLSKEAEPEIYNAIR
RDALLENVTVREDGTIDFDDGSKTENTRVSYPIYHIDNIVKPVSKAGHAT
KVIFLTADAFGVLPPVSRLTADQTQYHFLSGFTAKLAGTERGITEPTPTF
SACFGAAFLSLHPTQYAEVLVKRMQAAGAQAYLVNTGWNGTGKRISIKDT
RAIIDAILNGSLDNAETFTLPMFNLAIPTELPGVDTKILDPRNTYASPEQ
WQEKAETLAKLFIDNFDKYTDTPAGAALVAAGPKL
Ligand information
Ligand IDCO2
InChIInChI=1S/CO2/c2-1-3
InChIKeyCURLTUGMZLYLDI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)=O
ACDLabs 10.04
CACTVS 3.341		O=C=O
FormulaC O2
NameCARBON DIOXIDE
ChEMBLCHEMBL1231871
DrugBankDB09157
ZINC
PDB chain2olr Chain A Residue 1656 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2olr How does an enzyme recognize CO2?
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y207 K212 K213
Binding residue
(residue number reindexed from 1)		Y202 K207 K208
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R65 K213 H232 S250 K254 T255 D269 R333
Catalytic site (residue number reindexed from 1) R60 K208 H227 S245 K249 T250 D264 R328
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:2olr, PDBe:2olr, PDBj:2olr
PDBsum2olr
PubMed17475535
UniProtP22259|PCKA_ECOLI Phosphoenolpyruvate carboxykinase (ATP) (Gene Name=pckA)

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