Structure of PDB 3mes Chain B Binding Site BS04

Receptor Information

>3mes Chain B (length=358) Species: 353152 (Cryptosporidium parvum Iowa II)

DTEIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPR
ILFRIYGKHVFYDSKVELDVFRYLSNINIAPNIIADFPEGRIEEFIDGEP
LTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWR
EEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYS
PAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIY
DYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMT
KAVEVFTLISHITWGLWSIASVEFDFTEYANTRFTHYLQKKKELIDQGIL
PLNSWLFN

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3mes Chain B Residue 429

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mes Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): E271 E304 Y307
• Binding residue (residue number reindexed from 1): E214 E247 Y250
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004103 choline kinase activity
• GO:0004305 ethanolamine kinase activity
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006646 phosphatidylethanolamine biosynthetic process
• GO:0006656 phosphatidylcholine biosynthetic process
• GO:0006657 CDP-choline pathway
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3mes, PDBe:3mes, PDBj:3mes
• PDBsum: 3mes
• UniProt: Q5CUP2