Structure of PDB 5a65 Chain A Binding Site BS04

Receptor Information
>5a65 Chain A (length=208) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMTQGLIEVERKFAPGPDTEERLQELGATLEHRVTFRDTYYDTSELSLM
LSDHWLRQREGSGWELKCPGVSGPHNEYVEVTSEAAIVAQLFELLGSGEQ
KPAGVAAVLGSLKLQEVASFITTRSSWKLALSEPQLTIDLDSADFGYAVG
EVEAMVHEKAEVPAALEKIITVSSMLGVPAQEEAPAKLMVYLQRFRPLDY
QRLLEAAS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain5a65 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a65 Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		R125 E159
Binding residue
(residue number reindexed from 1)		R124 E153
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5a65, PDBe:5a65, PDBj:5a65
PDBsum5a65
PubMed26221030
UniProtQ8JZL3|THTPA_MOUSE Thiamine-triphosphatase (Gene Name=Thtpa)

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