Structure of PDB 2f17 Chain B Binding Site BS02

Receptor Information

>2f17 Chain B (length=243) Species: 10090 (Mus musculus)

MEHAFTPLEPLLPTGNLKYCLVVLNQPLDARFRHLWKKALLRACADGGAN
HLYDLTEGERESFLPEFVSGDFDSIRPEVKEYYTKKGCDLISTPDQDHTD
FTKCLQVLQRKIEEKELQVDVIVTLGGLGGRFDQIMASVNTLFQATHITP
VPIIIIQKDSLIYLLQPGKHRLHVDTGMEGSWCGLIPVGQPCNQVTTTGL
KWNLTNDVLGFGTLVSTSNTYDGSGLVTVETDHPLLWTMAIKS

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2f17 Chain B Residue 902

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2f17 Pyrithiamine as a substrate for thiamine pyrophosphokinase
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): D46 D71 D100
• Binding residue (residue number reindexed from 1): D46 D71 D100
• Annotation score: 1

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

External links

• PDB: RCSB:2f17, PDBe:2f17, PDBj:2f17
• PDBsum: 2f17
• PubMed: 16365036
• UniProt: Q9R0M5|TPK1_MOUSE Thiamine pyrophosphokinase 1 (Gene Name=Tpk1)