Structure of PDB 2bji Chain B Binding Site BS02

Receptor Information
>2bji Chain B (length=274) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPWQECMDYAVTLAGQAGEVVREALKNEMNIMVKSSPADLVTATDQKVEK
MLITSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHGF
PFVAVSIGFVVNKKMEFGIVYSCLEDKMYTGRKGKGAFCNGQKLQVSHQE
DITKSLLVTELGSSRTPETVRIILSNIERLLCLPIHGIRGVGTAALNMCL
VAAGAADAYYEMGIHCWDVAGAGIIVTEAGGVLLDVTGGPFDLMSRRVIA
SSNKTLAERIAKEIQIIPLQRDDE
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 chain2bji Chain B Residue 3278 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bji High-resolution structure of myo-inositol monophosphatase, the putative target of lithium therapy.
Resolution1.24 Å
Binding residue
(original residue number in PDB)		D2090 D2093 D2220
Binding residue
(residue number reindexed from 1)		D88 D91 D218
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D2047 E2070 D2090 I2092 D2093 T2095 D2220
Catalytic site (residue number reindexed from 1) D45 E68 D88 I90 D91 T93 D218
Enzyme Commision number 3.1.3.25: inositol-phosphate phosphatase.
3.1.3.94: D-galactose 1-phosphate phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008934 inositol monophosphate 1-phosphatase activity
GO:0016787 hydrolase activity
GO:0030145 manganese ion binding
GO:0031403 lithium ion binding
GO:0046872 metal ion binding
GO:0052832 inositol monophosphate 3-phosphatase activity
GO:0052833 inositol monophosphate 4-phosphatase activity
GO:0052834 inositol monophosphate phosphatase activity
Biological Process
GO:0006020 inositol metabolic process
GO:0006021 inositol biosynthetic process
GO:0007165 signal transduction
GO:0046854 phosphatidylinositol phosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2bji, PDBe:2bji, PDBj:2bji
PDBsum2bji
PubMed15858264
UniProtP20456|IMPA1_BOVIN Inositol monophosphatase 1 (Gene Name=IMPA1)

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