Structure of PDB 1wau Chain A Binding Site BS01

Receptor Information
>1wau Chain A (length=213) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKNWKTSAESILTTGPVVPVIVVKKLEHAVPMAKALVAGGVRVLNVTLRT
ECAVDAIRAIAKEVPEAIVGAGTVLNPQQLAEVTEAGAQFAISPGLTEPL
LKAATEGTIPLIPGISTVSELMLGMDYGLKEFKFFPAEANGGVKALQAIA
GPFSQVRFCPTGGISPANYRDYLALKSVLCIGGSWLVPADALEAGDYDRI
TKLAREAVEGAKL
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1wau Chain A Residue 1214 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wau Mechanism of the Class I Kdpg Aldolase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G162 G163 S184
Binding residue
(residue number reindexed from 1)		G162 G163 S184
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N45 R49 K133
Catalytic site (residue number reindexed from 1) N45 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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wau, PDBe:1wau, PDBj:1wau
PDBsum1wau
PubMed16403639
UniProtP0A955|ALKH_ECOLI KHG/KDPG aldolase (Gene Name=eda)

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