Structure of PDB 6yxs Chain A Binding Site BS01

Receptor Information
>6yxs Chain A (length=359) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDPLYIKKICLEKVHDWSRCNEDDVCVNQILSGLTNQLFEVSIKEDTAIE
YRITRRHVLFRIYGKDVDALYNPLSEFEVYKTMSKYRIAPLLLNTFDGGR
IEEWLYGDPLSIDDLKNKSILVGIANVLGKFHTLSRKRHLPEHWDKTPCV
FKMMDRWRLAVSNYKNLDKVTLDINKYIQESHKFLKFIKIYTQIENIAND
IVFCHNDLQENNIMNTNKCLRLIDFEYSGYNFLSADIANFFIETTIDYSY
NAYPFFIINKKNYISYESRILFVTTYLSKYLDDSTAASDQDIIDQFLEAI
EVQALGLHLIWAFWSIIRGYQTKSYNEFDFFLYAKERLKMYDEQKQYLMS
KNIIKDYDD
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 chain6yxs Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yxs Crystal Structure of the Apo and the ADP-Bound Form of Choline Kinase from Plasmodium falciparum
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N293 D305
Binding residue
(residue number reindexed from 1)		N212 D224
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.32: choline kinase.
External links