Structure of PDB 5a65 Chain B Binding Site BS01

Receptor Information

>5a65 Chain B (length=197) Species: 10090 (Mus musculus)

GAMTQGLIEVERKFAPGPDTEERLQELGATLEHRVTFRDTYYDTSELSLM
LSDHWLRQREGSGWELKCPHNEYVEVTSEAAIVAQLFELLPAGVAAVLGS
LKLQEVASFITTRSSWKLALSEPQLTIDLDSADFGYAVGEVEAMVHEKAE
VPAALEKIITVSSMLGVPAQEEAPAKLMVYLQRFRPLDYQRLLEAAS

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: 5a65 Chain B Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5a65 Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
• Resolution: 1.98 Å
• Binding residue (original residue number in PDB): E157 E159
• Binding residue (residue number reindexed from 1): E140 E142
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.28: thiamine-triphosphatase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016462 pyrophosphatase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0050333 thiamine triphosphate phosphatase activity

Biological Process

• GO:0006772 thiamine metabolic process
• GO:0009229 thiamine diphosphate biosynthetic process
• GO:0016311 dephosphorylation
• GO:0042357 thiamine diphosphate metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:5a65, PDBe:5a65, PDBj:5a65
• PDBsum: 5a65
• PubMed: 26221030
• UniProt: Q8JZL3|THTPA_MOUSE Thiamine-triphosphatase (Gene Name=Thtpa)