Structure of PDB 1eua Chain B Binding Site BS01

Receptor Information
>1eua Chain B (length=213) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKNWKTSAESILTTGPVVPVIVVKKLEHAVPMAKALVAGGVRVLEVTLRT
ECAVDAIRAIAKEVPEAIVGAGTVLNPQQLAEVTEAGAQFAISPGLTEPL
LKAATEGTIPLIPGISTVSELMLGMDYGLKEFKFFPAEANGGVKALQAIA
GPFSQVRFCPTGGISPANYRDYLALKSVLCIGGSWLVPADALEAGDYDRI
TKLAREAVEGAKL
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 chain1eua Chain B Residue 2102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1eua Covalent intermediate trapped in 2-keto-3-deoxy-6- phosphogluconate (KDPG) aldolase structure at 1.95-A resolution.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E45 R49 T73 S93 P94 K133 F135
Binding residue
(residue number reindexed from 1)		E45 R49 T73 S93 P94 K133 F135
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E45 R49 K133
Catalytic site (residue number reindexed from 1) E45 R49 K133
Enzyme Commision number 4.1.2.14: 2-dehydro-3-deoxy-phosphogluconate aldolase.
4.1.3.16: 4-hydroxy-2-oxoglutarate aldolase.
Gene Ontology
Molecular Function
GO:0008675 2-dehydro-3-deoxy-phosphogluconate aldolase activity
GO:0008700 (R,S)-4-hydroxy-2-oxoglutarate aldolase activity
GO:0008948 oxaloacetate decarboxylase activity
GO:0016829 lyase activity
GO:0016833 oxo-acid-lyase activity
GO:0042802 identical protein binding
GO:0106009 (4S)-4-hydroxy-2-oxoglutarate aldolase activity
Biological Process
GO:0009255 Entner-Doudoroff pathway through 6-phosphogluconate
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:1eua, PDBe:1eua, PDBj:1eua
PDBsum1eua
PubMed11274385
UniProtP0A955|ALKH_ECOLI KHG/KDPG aldolase (Gene Name=eda)

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