Structure of PDB 1un9 Chain A Binding Site BS03

Receptor Information
>1un9 Chain A (length=537) Species: 546 (Citrobacter freundii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASQFFFNQRTHLVSDVIDGAIIASPWNNLARLESDPAIRIVVRRDLNKNN
VAVISGGGSGHEPAHVGFIGKGMLTAAVCGDVFASPSVDAVLTAIQAVTG
EAGCLLIVKNYTGDRLNFGLAAEKARRLGYNVEMLIVGDDISLPDNKHPR
GIAGTILVHKIAGYFAERGYNLATVLREAQYAASNTFSLGVALSSCHLPQ
ETDAAPRHHPGHAELGMGIHGEPGASVIDTQNSAQVVNLMVDKLLAALPE
TGRLAVMINNLGGVSVAEMAIITRELASSPLHSRIDWLIGPASLVTALDM
KGFSLTAIVLEESIEKALLTEVETSNWPTPVPPREITCVVSSHASARVEF
QPSANALVAGIVELVTATLSDLETHLNALDAKVGDGDTGSTFAAAAREIA
SLLHRQQLPLNNLATLFALIGERLTVVMGGSSGVLMSIFFTAAGQKLEQG
ANVVEALNTGLAQMKFYGGADEGDRTMIDALQPALTSLLAQPKNLQAAFD
AAQAGAERTCLSSKALGNMDPGAQALAMVFKALAESE
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 chain1un9 Chain A Residue 1553 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1un9 Crystal Structure of the Citrobacter Freundii Dihydroxyacetone Kinase Reveals an Eight-Stranded Alpha-Helical Barrel ATP-Binding Domain
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D385 D387
Binding residue
(residue number reindexed from 1)		D385 D387
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.29: glycerone kinase.
Gene Ontology
Molecular Function
GO:0004371 glycerone kinase activity
GO:0005524 ATP binding
GO:0008289 lipid binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006071 glycerol metabolic process
GO:0016310 phosphorylation
GO:0019563 glycerol catabolic process
GO:0019588 anaerobic glycerol catabolic process
Cellular Component
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:1un9, PDBe:1un9, PDBj:1un9
PDBsum1un9
PubMed12966101
UniProtP45510|DHAK_CITFR Dihydroxyacetone kinase (Gene Name=dhaK)

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