Structure of PDB 5a7i Chain A Binding Site BS02

Receptor Information

>5a7i Chain A (length=313) Species: 9606 (Homo sapiens)

MYTYIQNFRFFAGTYNVNGQSPKECLRLWLSNGIQAPDVYCVGFQELDLS
KEAFFFHDTPKEEEWFKAVSEGLHPDAKYAKVKLIRLVGIMLLLYVKQEH
AAYISEVEAETVGTGIMGRMGNKGGVAIRFQFHNTSICVVNSHLAAHIEE
YERRNQDYKDICSRMQFCQPDPSLPPLTISNHDVILWLGDLNYRIEELDV
EKVKKLIEEKDFQMLYAYDQLKIQVAAKTVFEGFTEGELTFQPTYKYDTG
SDDWDTSEKCRAPAWCDRILWKGKNITQLSYQSHMALKTSDHKPVSSVFD
IGVRVVAHHHHHH

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: 5a7i Chain A Residue 1575

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5a7i Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
• Resolution: 2.89 Å
• Binding residue (original residue number in PDB): Y473 K479 V482
• Binding residue (residue number reindexed from 1): Y216 K222 V225
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.36: phosphoinositide 5-phosphatase.

Gene Ontology

Molecular Function

• GO:0016791 phosphatase activity
• GO:0052745 inositol phosphate phosphatase activity

Biological Process

• GO:0046856 phosphatidylinositol dephosphorylation

External links

• PDB: RCSB:5a7i, PDBe:5a7i, PDBj:5a7i
• PDBsum: 5a7i
• PubMed: 26854536
• UniProt: P32019|I5P2_HUMAN Type II inositol 1,4,5-trisphosphate 5-phosphatase (Gene Name=INPP5B)