Structure of PDB 1ymq Chain A Binding Site BS02

Receptor Information
>1ymq Chain A (length=260) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKALFFDIDGTLVSFETHRIPSSTIEALEAAHAKGLKIFIATGRPKAIIN
NLSELQDRNLIDGYITMNGAYCFVGEEVIYKSAIPQEEVKAMAAFCEKKG
VPCIFVEEHNISVCQPNEMVKKIFYDFLHVNVIPTVSFEEASNKEVIQMT
PFITEEEEKEVLPSIPTCEIGRWYPAFADVTAKGDTKQKGIDEIIRHFGI
KLEETMSFGDGGNDISMLRHAAIGVAMGQAKEDVKAAADYVTAPIDEDGI
SKAMKHFGII
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 chain1ymq Chain A Residue 263 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ymq HAD Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of HAD Subclass IIB Sugar Phosphatase BT4131.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L219 R220 A222 D240
Binding residue
(residue number reindexed from 1)		L218 R219 A221 D239
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:1ymq, PDBe:1ymq, PDBj:1ymq
PDBsum1ymq
PubMed15952775
UniProtQ8A090

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