Structure of PDB 3kof Chain A Binding Site BS01

Receptor Information
>3kof Chain A (length=316) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDKLTSLRQYTTVVADTGDIAAMKLYQPQDATTNPSLILNAAQIPEYRKL
IDDAVAWAKQQSNDRAQQIVDATDKLAVNIGLEILKLVPGRISTEVDARL
SYDTEASIAKAKRLIKLYNDAGISNDRILIKLASTWQGIRAAEQLEKEGI
NCNLTLLFSFAQARACAEAGVFLISPYVGEILDWYKANTDKKEYAPAEDP
GVVSVSEIYQYYKEHGYETVVMGASFRNIGEILELAGCDRLTIAPTLLKE
LAESEGAIERKLSYTGEVKARPARITESEFLWQHNQDPMAVDKLAEGIRK
FAIDQEKLEKMIGDLL
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 chain3kof Chain A Residue 320 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kof Redesigning the Active Site of Transaldolase TalB from Escherichia coli: New Variants with Improved Affinity towards Nonphosphorylated Substrates.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E181 S226 R228
Binding residue
(residue number reindexed from 1)		E180 S225 R227
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D17 E96 K132 T156 Y178
Catalytic site (residue number reindexed from 1) D16 E95 K131 T155 Y177
Enzyme Commision number 2.2.1.2: transaldolase.
Gene Ontology
Molecular Function
GO:0004801 transaldolase activity
GO:0016740 transferase activity
GO:0016744 transketolase or transaldolase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006098 pentose-phosphate shunt
GO:0009052 pentose-phosphate shunt, non-oxidative branch
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:3kof, PDBe:3kof, PDBj:3kof
PDBsum3kof
PubMed20148428
UniProtP0A870|TALB_ECOLI Transaldolase B (Gene Name=talB)

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