Structure of PDB 4qxd Chain B Binding Site BS03

Receptor Information

>4qxd Chain B (length=289) Species: 294381 (Entamoeba histolytica HM-1:IMSS)

MQTSLFEFANVLITAVKEASYSISKFKEEVEIKYKSDGSEVTQVDTQSQQ
IIFSIIKNKYPTINIIGEEDVENGIPDNQLPTITQLSFGSLENKIININD
IIIYVDPLDGTDCYTHKQYDSVCVLVGVTYKGKPMIGIVSKPFYNNEITF
AIENYISSISLQPLNDKIIFVCSKKNDIQHLIKSFPDPYEVKYKGGSGAK
MMAIIHQEADIYYHPLIQSCTWDTLAAQVILEAQGGIVCDIYGNPLCYPS
SKKESMRHKKGVLCLSPRAKKYLPYMLSISKTILLLQHH

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4qxd Chain B Residue 303

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): E68 L108 D109 G110 T111
• Binding residue (residue number reindexed from 1): E68 L108 D109 G110 T111
• 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)