Structure of PDB 6fog Chain B Binding Site BS01

Receptor Information
>6fog Chain B (length=217) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASRPLSRFWEWGKNIVCVGRNYADHVREMRSAVLSEPVLFLKPSTAYAPE
GSPILMPAYTRNLHHELELGVVMGKRCRAVPEAAAMDYVGGYALCLDMTA
RDVQDECKKKGLPWTLAKSFTASCPVSAFVPKEKIPDPHKLKLWLKVNGE
LRQEGETSSMIFSIPYIISYVSKIITLEEGDIILTGTPKGVGPVKENDEI
EAGIHGLVSMTFKVEKP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6fog Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fog Structural basis for the bi-functionality of human oxaloacetate decarboxylase FAHD1.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		K18 N19
Binding residue
(residue number reindexed from 1)		K13 N14
Annotation score1
Enzymatic activity
Enzyme Commision number 3.7.1.5: acylpyruvate hydrolase.
4.1.1.112: oxaloacetate decarboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008948 oxaloacetate decarboxylase activity
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0018773 acetylpyruvate hydrolase activity
GO:0034545 fumarylpyruvate hydrolase activity
GO:0046872 metal ion binding
GO:0047621 acylpyruvate hydrolase activity
GO:0050163 oxaloacetate tautomerase activity
Biological Process
GO:0006090 pyruvate metabolic process
GO:0006107 oxaloacetate metabolic process
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
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:6fog, PDBe:6fog, PDBj:6fog
PDBsum6fog
PubMed30348641
UniProtQ6P587|FAHD1_HUMAN Oxaloacetate tautomerase FAHD1, mitochondrial (Gene Name=FAHD1)

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