Structure of PDB 6fog Chain B Binding Site BS03

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 IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain6fog Chain B 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)		G24 F45 E71 E73 G191 T192
Binding residue
(residue number reindexed from 1)		G19 F40 E66 E68 G186 T187
Annotation score2
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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