Structure of PDB 1j97 Chain B Binding Site BS01

Receptor Information
>1j97 Chain B (length=209) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKKKLILFDFDSTLVNNETIDEIAREAGVEEEVKKITKEAMEGKLNFEQS
LRKRVSLLKDLPIEKVEKAIKRITPTEGAEETIKELKNRGYVVAVVSGGF
DIAVNKIKEKLGLDYAFANRLIVKDGKLTGDVEGEVLKENAKGEILEKIA
KIEGINLEDTVAVGDGANDISMFKKAGLKIAFCAKPILKEKADICIEKRD
LREILKYIK
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 B Residue 720 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		X511 D513 D667
Binding residue
(residue number reindexed from 1)		X9 D11 D165
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D511 F512 D513 G600 K644 D671
Catalytic site (residue number reindexed from 1) D9 F10 D11 G98 K142 D169
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1j97, PDBe:1j97, PDBj:1j97
PDBsum1j97
PubMed11438683
UniProtQ58989|SERB_METJA Phosphoserine phosphatase (Gene Name=MJ1594)

[Back to BioLiP]