Structure of PDB 3fi8 Chain A Binding Site BS03

Receptor Information
>3fi8 Chain A (length=339) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKLTDPLYIKKICLEKVHDWSRCNEDDVCVNQILSGLTNQLFEVSIKEDT
AIEYRITRRHVLFRIYPLSEFEVYKTMSKYRIAPLLLNTFDGGRIEEWLY
GDPLSIDDLKNKSILVGIANVLGKFHTLSRKRHLPEHWDKTPCVFKMMDR
WRLAVSNYKNLDKVTLDINKYIQESHKFLKFIKIYTQIENIANDIVFCHN
DLQENNIMNTNKCLRLIDFEYSGYNFLSADIANFFIETTIDYSYNAYPFF
IINKKNYISYESRILFVTTYLSKYLDDSTAADQDIIDQFLEAIEVQALGL
HLIWAFWSIIRGYQTFDFFLYAKERLKMYDEQKQYLMSK
Ligand information
Ligand IDOPE
InChIInChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeySUHOOTKUPISOBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COP(=O)(O)O)N
ACDLabs 10.04O=P(O)(O)OCCN
CACTVS 3.341NCCO[P](O)(O)=O
FormulaC2 H8 N O4 P
NamePHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER;
COLAMINE PHOSPHORIC ACID
ChEMBLCHEMBL146972
DrugBankDB01738
ZINCZINC000003870166
PDB chain3fi8 Chain A Residue 603 [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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PDB3fi8 Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D288 Q290 W395
Binding residue
(residue number reindexed from 1)		D201 Q203 W307
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.1.32: choline kinase.
External links