Structure of PDB 4cmn Chain A Binding Site BS02

Receptor Information

>4cmn Chain A (length=339) Species: 9606 (Homo sapiens)

REGLIKHILAKREKEYVNIQTFRFFVGTWNVNGQSPDSGLEPWLNCDPNP
PDIYCIGFQELDLSTEAFFYFESVKEQEWSMAVERGLHSKAKYKKVQLVR
LVGMMLLIFARKDQCRYIRDIATETVGTGIMGKMGNKGGVAVRFVFHNTT
FCIVNSHLAAHVEDFERRNQDYKDICARMSFVVPNLPQLNIMKHEVVIWL
GDLNYRLGMPDANEVKSLINKKDLQRLLKFDQLNIQRTQKKAFVDFNEGE
IKFIPTYKYDSKTDRWDSSGKCRVPAWCDRILWRGTNVNQLNYRSHMELK
TSDHKPVSALFHIGVKVVDERRYRKVFEDSVRIMDRMEN

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: 4cmn Chain A Residue 1561

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4cmn Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases.
• Resolution: 3.13 Å
• Binding residue (original residue number in PDB): N250 E278
• Binding residue (residue number reindexed from 1): N32 E60
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.36: phosphoinositide 5-phosphatase.
  3.1.3.56: inositol-polyphosphate 5-phosphatase.
  3.1.3.86: phosphatidylinositol-3,4,5-trisphosphate 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:4cmn, PDBe:4cmn, PDBj:4cmn
• PDBsum: 4cmn
• PubMed: 24704254
• UniProt: Q01968|OCRL_HUMAN Inositol polyphosphate 5-phosphatase OCRL (Gene Name=OCRL)