Structure of PDB 3t9e Chain A Binding Site BS06

Receptor Information
>3t9e Chain A (length=325) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RQIVVGICSMAKKSKSKPMKEILERISLFKYITVVVFEEEVILNEPVENW
PLCDCLISFHSKGFPLDKAVAYAKLRNPFVINDLNMQYLIQDRREVYSIL
QAEGILLPRYAILNRDPNNPKECNLIEGEDHVEVNGEVFQKPFVEKPVSA
EDHNVYIYYPTSAGGGSQRLFRKIGSRSSVYSPESNVRKTGSYIYEEFMP
TDGTDVKVYTVGPDYAHAEARKSPALDGKVERDSEGKEVRYPVILNAREK
LIAWKVCLAFKQTVCGFDLLRANGQSYVCDVNGFSFVKNSMKYYDDCAKI
LGNIVMRELAPQFHIPWSIPLEAED
Ligand information
Ligand IDMGF
InChIInChI=1S/3FH.Mg/h3*1H;/q;;;+2/p-3
InChIKeyGJOMWUHGUQLOAC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Mg-](F)F
FormulaF3 Mg
NameTRIFLUOROMAGNESATE
ChEMBL
DrugBank
ZINC
PDB chain3t9e Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3t9e Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R213 D321 N323
Binding residue
(residue number reindexed from 1)		R172 D280 N282
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.4.24: diphosphoinositol-pentakisphosphate 1-kinase.
Gene Ontology
Molecular Function
GO:0000829 diphosphoinositol pentakisphosphate kinase activity

View graph for
Molecular Function
External links
PDB RCSB:3t9e, PDBe:3t9e, PDBj:3t9e
PDBsum3t9e
PubMed22119861
UniProtO43314|VIP2_HUMAN Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 (Gene Name=PPIP5K2)

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