Structure of PDB 1z2o Chain X Binding Site BS01

Receptor Information

>1z2o Chain X (length=311) Species: 294381 (Entamoeba histolytica HM-1:IMSS)

QTVSLFIWLPESKQKTLFISTKNHTQFELNNIIFDVTLSTELPDKEPNAI
ITKRTHPVGKMADEMRKYEKDHPKVLFLESSAIHDMMSSREEINALLIKN
NIPIPNSFSVKSKEEVIQLLQSKQLILPFIVKPENAQGTFNAHQMKIVLE
QEGIDDIHFPCLCQHYINHNNKIVKVFCIGNTLKWQTRTSLPNVHRCGIK
SVDFNNQHLEDILSWPEGVIDKQDIIENSANRFGSKILEDPILLNLTSEA
EMRDLAYKVRCALGVQLCGIDFIKENEQGNPLVVDVNVFPSYGGKVDFDW
FVEKVALCYTE

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: 1z2o Chain X Residue 1295

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1z2o Specificity determinants in inositol polyphosphate synthesis: crystal structure of inositol 1,3,4-trisphosphate 5/6-kinase.
• Resolution: 1.24 Å
• Binding residue (original residue number in PDB): D275 D289
• Binding residue (residue number reindexed from 1): D271 D285
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.134: inositol-tetrakisphosphate 1-kinase.
  2.7.1.159: inositol-1,3,4-trisphosphate 5/6-kinase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding
• GO:0047325 inositol-3,4,5,6-tetrakisphosphate 1-kinase activity
• GO:0052725 inositol-1,3,4-trisphosphate 6-kinase activity
• GO:0052726 inositol-1,3,4-trisphosphate 5-kinase activity

Biological Process

• GO:0016310 phosphorylation
• GO:0032957 inositol trisphosphate metabolic process

External links

• PDB: RCSB:1z2o, PDBe:1z2o, PDBj:1z2o
• PDBsum: 1z2o
• PubMed: 15837423
• UniProt: Q9XYQ1|ITPK1_ENTH1 Inositol-tetrakisphosphate 1-kinase (Gene Name=ITPK1)