Structure of PDB 1ylh Chain A Binding Site BS04

Receptor Information
>1ylh Chain A (length=524) Species: 67854 (Actinobacillus succinogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLNKLVKELNDLGLTDVKEIVYNPSYEQLFEEETKPGLEGFDKGTLTTLG
AVAVDTGIFTGRSPKDKYIVCDETTKDTVWWNSEAAKNDNKPMTQETWKS
LRELVAKQLSGKRLFVVEGYCGASEKHRIGVRMVTEVAWQAHFVKNMFIR
PTDEELKNFKADFTVLNGAKCTNPNWKEQGLNSENFVAFNITEGIQLIGG
TWYGGEMKKGMFSMMNYFLPLKGVASMHCSANVGKDGDVAIFFGLSGTGK
TTLSTDPKRQLIGDDEHGWDESGVFNFEGGCYAKTINLSQENEPDIYGAI
RRDALLENVVVRADGSVDFDDGSKTENTRVSYPIYHIDNIVRPVSKAGHA
TKVIFLTADAFGVLPPVSKLTPEQTEYYFLSGFTAPTPTFSACFGAAFLS
LHPIQYADVLVERMKASGAEAYLVNTGWNGTGKRISIKDTRGIIDAILDG
SIEKAEMGELPIFNLAIPKALPGVDPAILDPRDTYADKAQWQVKAEDLAN
RFVKNFVKYTANPEAAKLVGAGPK
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 chain1ylh Chain A Residue 931 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ylh Structure of PEP carboxykinase from the succinate-producing Actinobacillus succinogenes: a new conserved active-site motif.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R65 Y207 R333
Binding residue
(residue number reindexed from 1)		R62 Y203 R329
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R65 K213 H232 S250 K254 T255 D269 R333
Catalytic site (residue number reindexed from 1) R62 K209 H228 S246 K250 T251 D265 R329
Enzyme Commision number 4.1.1.49: phosphoenolpyruvate carboxykinase (ATP).
Gene Ontology
Molecular Function
GO:0004611 phosphoenolpyruvate carboxykinase activity
GO:0004612 phosphoenolpyruvate carboxykinase (ATP) activity
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:1ylh, PDBe:1ylh, PDBj:1ylh
PDBsum1ylh
PubMed15983413
UniProtA6VKV4|PCKA_ACTSZ Phosphoenolpyruvate carboxykinase (ATP) (Gene Name=pckA)

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