Structure of PDB 3khe Chain A Binding Site BS05

Receptor Information
>3khe Chain A (length=184) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HALTGALGNMKKFQSSQKLAQAAMLFMGSKLTTLEETKELTQIFRQLDNN
GDGQLDRKELIEGYRKLMQVSDLDSSQIEAEVDHILQSVDFDRNGYIEYS
EFVTVCMDKQLLLSRERLLAAFQQFDSDGSGKITNEELGRLFGVTEVDDE
TWHQVLQECDKNNDGEVDFEEFVEMMQKICDVKV
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 chain3khe Chain A Residue 196 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3khe Structures of parasitic CDPK domains point to a common mechanism of activation.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		R47 D50
Binding residue
(residue number reindexed from 1)		R45 D48
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:3khe, PDBe:3khe, PDBj:3khe
PDBsum3khe
PubMed21287613
UniProtQ3HNM6

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