Structure of PDB 4qxd Chain A Binding Site BS03

Receptor Information

>4qxd Chain A (length=288) Species: 294381 (Entamoeba histolytica HM-1:IMSS)

MQTSLFEFANVLITAVKEASYSISKFKEEVEIKYKSDGSEVTQVDTQSQQ
IIFSIIKNKYPTINIIGEEDVENGIPDNQLPTITQLSFGSLENKIININD
IIIYVDPLDGTDCYTHKQYDSVCVLVGVTYKGKPMIGIVSKPFYNNEITF
AIENYISSISLQPLNDKIIFVCSKKNDIQHLIKSFPDPYEVKYKGGSGAK
MMAIIHQEADIYYHPLIQSCTWDTLAAQVILEAQGGIVCDIYGNPLCYPS
SKKESMRHKKGVLCLSPRAKKYLPYMLSISKTILLLQH

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: 4qxd Chain A Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4qxd Structure-based identification of inositol polyphosphate 1-phosphatase from Entamoeba histolytica
• Resolution: 2.55 Å
• Binding residue (original residue number in PDB): D106 D109 D223
• Binding residue (residue number reindexed from 1): D106 D109 D223
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E68
• Catalytic site (residue number reindexed from 1): E68
• Enzyme Commision number: 3.1.3.57: inositol-1,4-bisphosphate 1-phosphatase.
  3.1.3.7: 3'(2'),5'-bisphosphate nucleotidase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004441 inositol-1,4-bisphosphate 1-phosphatase activity
• GO:0008441 3'(2'),5'-bisphosphate nucleotidase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4qxd, PDBe:4qxd, PDBj:4qxd
• PDBsum: 4qxd
• PubMed: 25372691
• UniProt: C4M633|INPP_ENTH1 Inositol polyphosphate 1-phosphatase (Gene Name=EHI_179820)