Structure of PDB 2uyn Chain B Binding Site BS01

Receptor Information
>2uyn Chain B (length=127) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKIIETQRAPGAIGPYVQGVDLGSMVFTSGQIPVCPQTGEIPADVQDQAR
LSLENVKAIVVAAGLSVGDIIKMTVFITDLNDFATINEVYKQFFDEHQAT
YPTRSCVQVARLPKDVKLEIEAIAVRS
Ligand information
Ligand ID2KT
InChIInChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
InChIKeyTYEYBOSBBBHJIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCC(=O)C(O)=O
ACDLabs 12.01O=C(C(=O)O)CC
OpenEye OEToolkits 1.7.0CCC(=O)C(=O)O
FormulaC4 H6 O3
Name2-KETOBUTYRIC ACID;
2-OXOBUTANOIC ACID
ChEMBLCHEMBL171246
DrugBankDB04553
ZINCZINC000001532540
PDB chain2uyn Chain A Residue 1129 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2uyn The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y17 E120
Binding residue
(residue number reindexed from 1)		Y16 E119
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.70,Kd=2mM
Enzymatic activity
Enzyme Commision number 3.5.4.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0019239 deaminase activity
GO:0042802 identical protein binding
Biological Process
GO:0006566 threonine metabolic process
GO:0070689 L-threonine catabolic process to propionate
Cellular Component
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:2uyn, PDBe:2uyn, PDBj:2uyn
PDBsum2uyn
PubMed17506874
UniProtP0AGL2|TDCF_ECOLI Putative reactive intermediate deaminase TdcF (Gene Name=tdcF)

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