Structure of PDB 2p3n Chain D Binding Site BS01

Receptor Information
>2p3n Chain D (length=256) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDRLDFSIKLLRKVGHLLMIHWGRVDNVEKKTGFKDIVTEIDREAQRMIV
DEIRKFFPDENIMAEEGIFEKGDRLWIIDPIDGTINFVHGLPNFSISLAY
VENGEVKLGVVHAPALNETLYAEEGSGAFFNGERIRVSENASLEECVGST
GSYVDFTGKFIERMEKRTRRIRILGSAALNAAYVGAGRVDFFVTWRINPW
DIAAGLIIVKEAGGMVTDFSGKEANAFSKNFIFSNGLIHDEVVKVVNEVV
EEIGGK
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 chain2p3n Chain D Residue 1763 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2p3n Crystal structure of the tetrameric inositol 1-phosphate phosphatase (TM1415) from the hyperthermophile, Thermotoga maritima.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E1565 D1579 I1581
Binding residue
(residue number reindexed from 1)		E65 D79 I81
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D1542 E1565 D1579 I1581 D1582 T1584 D1701
Catalytic site (residue number reindexed from 1) D42 E65 D79 I81 D82 T84 D201
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
3.1.3.25: inositol-phosphate phosphatase.
Gene Ontology
Molecular Function
GO:0008934 inositol monophosphate 1-phosphatase activity
GO:0016787 hydrolase activity
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
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:0007165 signal transduction
GO:0046854 phosphatidylinositol phosphate biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2p3n, PDBe:2p3n, PDBj:2p3n
PDBsum2p3n
PubMed17419729
UniProtO33832|BSUHB_THEMA Fructose-1,6-bisphosphatase/inositol-1-monophosphatase (Gene Name=suhB)

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