Structure of PDB 7ed6 Chain A Binding Site BS01

Receptor Information
>7ed6 Chain A (length=203) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFQGHMAEAWGPEAVAEAFRYATRWFQVYVEELNALNVYPVPDGDTGTNM
LHTLEAARRELDLADTSRMDQVARALAYGSLLGARGNSGVILSQILRGFA
EALKGKRALDGSLLRRALRMGAESGYKAVMRPVEGTILTVARAAGEGARG
EALEEVLETALEAAREALERTPELLPVLRQAGVVDAGGAGYVRLLEGMRG
YAL
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 chain7ed6 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ed6 Crystal structure of a nucleotide-binding domain of fatty acid kinase FakA from Thermus thermophilus HB8.
Resolution1.9285 Å
Binding residue
(original residue number in PDB)		N32 D38 D40
Binding residue
(residue number reindexed from 1)		N37 D43 D45
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004371 glycerone kinase activity
Biological Process
GO:0006071 glycerol metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7ed6, PDBe:7ed6, PDBj:7ed6
PDBsum7ed6
PubMed36228973
UniProtQ5SLS9

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