Structure of PDB 1j97 Chain A Binding Site BS01

Receptor Information
>1j97 Chain A (length=210) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKKKKLILFDFDSTLVNNETIDEIAREAGVEEEVKKITKEAMEGKLNFEQ
SLRKRVSLLKDLPIEKVEKAIKRITPTEGAEETIKELKNRGYVVAVVSGG
FDIAVNKIKEKLGLDYAFANRLIVKDGKLTGDVEGEVLKENAKGEILEKI
AKIEGINLEDTVAVGDGANDISMFKKAGLKIAFCAKPILKEKADICIEKR
DLREILKYIK
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 chain1j97 Chain A Residue 220 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j97 BeF(3)(-) acts as a phosphate analog in proteins phosphorylated on aspartate: structure of a BeF(3)(-) complex with phosphoserine phosphatase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		X11 D13 D167
Binding residue
(residue number reindexed from 1)		X10 D12 D166
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D11 F12 D13 G100 K144 D171
Catalytic site (residue number reindexed from 1) D10 F11 D12 G99 K143 D170
Enzyme Commision number 3.1.3.3: phosphoserine phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0036424 L-phosphoserine phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006564 L-serine 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:1j97, PDBe:1j97, PDBj:1j97
PDBsum1j97
PubMed11438683
UniProtQ58989|SERB_METJA Phosphoserine phosphatase (Gene Name=MJ1594)

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