Structure of PDB 1obw Chain B Binding Site BS01

Receptor Information

>1obw Chain B (length=175) Species: 562 (Escherichia coli)

SLLNVPAGKDLPEDIYVVIEIPANADPIKYEIDKESGALFVDRFMSTAMF
YPCNYGYINHTLSLDGDPVDVLVPTPYPLQPGSVTRCRPVGVLKMTDEAG
EDAKLVAVPHSKLSKEYDHIKDVNDLPELLKAQIAHFFEHYKDLEKGKWV
KVEGWENAEAAKAEIVASFERAKNK

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: 1obw Chain B Residue 176

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1obw Crystal structure of holo inorganic pyrophosphatase from Escherichia coli at 1.9 A resolution. Mechanism of hydrolysis.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D65 D70 D102
• Binding residue (residue number reindexed from 1): D65 D70 D102
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.1: inorganic diphosphatase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004427 inorganic diphosphate phosphatase activity
• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0050355 inorganic triphosphate phosphatase activity

Biological Process

• GO:0006796 phosphate-containing compound metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0016020 membrane

External links

• PDB: RCSB:1obw, PDBe:1obw, PDBj:1obw
• PDBsum: 1obw
• PubMed: 9201917
• UniProt: P0A7A9|IPYR_ECOLI Inorganic pyrophosphatase (Gene Name=ppa)