Structure of PDB 2f17 Chain A Binding Site BS01

Receptor Information
>2f17 Chain A (length=255) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHSSGLVPRGSHMEHAFTPLEPLLPTGNLKYCLVVLNQPLDARFRHLWKK
ALLRACADGGANHLYDLTEGERESFLPEFVSGDFDSIRPEVKEYYTKKGC
DLISTPDQDHTDFTKCLQVLQRKIEEKELQVDVIVTLGGLGGRFDQIMAS
VNTLFQATHITPVPIIIIQKDSLIYLLQPGKHRLHVDTGMEGSWCGLIPV
GQPCNQVTTTGLKWNLTNDVLGFGTLVSTSNTYDGSGLVTVETDHPLLWT
MAIKS
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 chain2f17 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2f17 Pyrithiamine as a substrate for thiamine pyrophosphokinase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D46 D71 D73 D100
Binding residue
(residue number reindexed from 1)		D58 D83 D85 D112
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.6.2: thiamine diphosphokinase.
Gene Ontology
Molecular Function
GO:0004788 thiamine diphosphokinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0030975 thiamine binding
GO:0042802 identical protein binding
GO:0141200 UTP thiamine diphosphokinase activity
Biological Process
GO:0006772 thiamine metabolic process
GO:0009229 thiamine diphosphate biosynthetic process
GO:0010510 regulation of acetyl-CoA biosynthetic process from pyruvate
GO:0016310 phosphorylation
GO:0042723 thiamine-containing compound metabolic process
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:2f17, PDBe:2f17, PDBj:2f17
PDBsum2f17
PubMed16365036
UniProtQ9R0M5|TPK1_MOUSE Thiamine pyrophosphokinase 1 (Gene Name=Tpk1)

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